N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide

C29H33N5O2 — CID 14600113

IUPACN-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide
SMILESNNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CCCCc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C29H33N5O2/c30-34-29(36)27(18-25-19-31-20-32-25)33-28(35)24(13-5-4-11-21-9-2-1-3-10-21)17-23-15-8-14-22-12-6-7-16-26(22)23/h1-3,6-10,12,14-16,19-20,24,27H,4-5,11,13,17-18,30H2,(H,31,32)(H,33,35)(H,34,36)/t24?,27-/m0/s1
InChIKeyRMVOJDAMXLDCBU-WKDCXCOVSA-N
MW483.62 g/mol
LogP3.85
Rot. Bonds12

About N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide

N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide (PubChem CID 14600113) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide.

Molecular Properties

Compound NameN-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide
PubChem CID14600113
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC NameN-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide
SMILESNNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CCCCc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C29H33N5O2/c30-34-29(36)27(18-25-19-31-20-32-25)33-28(35)24(13-5-4-11-21-9-2-1-3-10-21)17-23-15-8-14-22-12-6-7-16-26(22)23/h1-3,6-10,12,14-16,19-20,24,27H,4-5,11,13,17-18,30H2,(H,31,32)(H,33,35)(H,34,36)/t24?,27-/m0/s1
InChIKeyRMVOJDAMXLDCBU-WKDCXCOVSA-N
XLogP3.85
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.62
LogP ≤ 53.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-3-(1H-imidazol-5-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 54018973
N-[3-(1H-imidazol-5-yl)-1-(methylamino)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593532
benzyl N-[3-[[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-(naphthalen-1-ylmethyl)-3-oxopropyl]-N-(3-phenylpropyl)carbamate
CID 14600081
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
N-[(2S)-1-[[(2S)-1-hydroxy-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-5-phenoxypentanamide
CID 14600065
2-benzyl-N-[(2S)-1-(1H-imidazol-5-yl)-3-oxopropan-2-yl]-6-phenylhexanamide
CID 54331333
N-[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-5-phenoxypentanamide
CID 14600053
N-[(4S,7S)-7-amino-8-(1H-imidazol-5-yl)-2-methyl-5,6-dioxooctan-4-yl]-2-benzyl-7-phenylheptanamide
CID 56622283
N-[(2S)-1-[[(3S,4S)-1-hydrazinyl-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 15594287
N-[1-(2-ethylsulfanylethylamino)-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 67599958
N-[(4S,7S)-7-amino-8-(1H-imidazol-5-yl)-2-methyl-5,6-dioxooctan-4-yl]-2-(naphthalen-1-ylmethyl)-5-phenoxypentanamide
CID 57028760
benzyl N-[(2R)-1-[[(2S)-3-(1H-imidazol-5-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-1-yl-1-oxopropan-2-yl]carbamate
CID 173420964

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide?
The IUPAC name of N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide (CID 14600113) is N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide.
What is the SMILES notation for N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide?
The canonical SMILES for N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide is NNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C(CCCCc1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide?
The InChIKey is RMVOJDAMXLDCBU-WKDCXCOVSA-N. The full InChI is InChI=1S/C29H33N5O2/c30-34-29(36)27(18-25-19-31-20-32-25)33-28(35)24(13-5-4-11-21-9-2-1-3-10-21)17-23-15-8-14-22-12-6-7-16-26(22)23/h1-3,6-10,12,14-16,19-20,24,27H,4-5,11,13,17-18,30H2,(H,31,32)(H,33,35)(H,34,36)/t24?,27-/m0/s1.
What are the key properties of N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide?
N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide has a molecular weight of 483.62 g/mol, XLogP of 3.85, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydrazinyl-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-(naphthalen-1-ylmethyl)-6-phenylhexanamide is sourced from PubChem (CID 14600113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).