6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide

C27H31N3O3 — CID 42764519

IUPAC6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide
SMILESNCCCCCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H31N3O3/c28-19-11-3-8-18-26(31)29-24(20-21-12-4-1-5-13-21)27(32)30-23-16-9-10-17-25(23)33-22-14-6-2-7-15-22/h1-2,4-7,9-10,12-17,24H,3,8,11,18-20,28H2,(H,29,31)(H,30,32)
InChIKeyQHLKIOWIKSKPKA-UHFFFAOYSA-N
MW445.56 g/mol
LogP4.66
Rot. Bonds12

About 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide

6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide (PubChem CID 42764519) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide
PubChem CID42764519
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide
SMILESNCCCCCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C27H31N3O3/c28-19-11-3-8-18-26(31)29-24(20-21-12-4-1-5-13-21)27(32)30-23-16-9-10-17-25(23)33-22-14-6-2-7-15-22/h1-2,4-7,9-10,12-17,24H,3,8,11,18-20,28H2,(H,29,31)(H,30,32)
InChIKeyQHLKIOWIKSKPKA-UHFFFAOYSA-N
XLogP4.66
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,2-dimethyl-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]propanamide
CID 42704771
6-amino-N-[(2S)-4-methyl-3-oxo-1-phenylpentan-2-yl]hexanamide
CID 167344958
[(2R)-1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]azanium
CID 6941208
N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-N'-phenylmethoxyoctanediamide
CID 10951210
N-(2-phenoxyphenyl)decanamide
CID 4091110
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
6-amino-N-(1,2-diphenylethyl)hexanamide
CID 42792343
(2S)-2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(2-phenoxyphenyl)-3-phenylpropanamide
CID 94861057
2-(carbamoylamino)-N-(4-phenoxyphenyl)-3-phenylpropanamide
CID 18160503
[4-[[(2S)-6-amino-2-[[(2S)-2-(8-methylnonanoylamino)-3-phenylpropanoyl]amino]hexanoyl]amino]phenyl]methyl 2-methylpropanoate
CID 167691462
2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide (CID 42764519) is 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide is NCCCCCC(=O)NC(Cc1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide?
The InChIKey is QHLKIOWIKSKPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c28-19-11-3-8-18-26(31)29-24(20-21-12-4-1-5-13-21)27(32)30-23-16-9-10-17-25(23)33-22-14-6-2-7-15-22/h1-2,4-7,9-10,12-17,24H,3,8,11,18-20,28H2,(H,29,31)(H,30,32).
What are the key properties of 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide?
6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide has a molecular weight of 445.56 g/mol, XLogP of 4.66, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[1-oxo-1-(2-phenoxyanilino)-3-phenylpropan-2-yl]hexanamide is sourced from PubChem (CID 42764519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).