(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide

C16H16N4O — CID 688489

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyDKDILZBBFKZMRO-HNNXBMFYSA-N
MW280.33 g/mol
LogP2.07
Rot. Bonds4

About (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide

(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide (PubChem CID 688489) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
PubChem CID688489
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyDKDILZBBFKZMRO-HNNXBMFYSA-N
XLogP2.07
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-3-(1H-imidazol-5-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]azanium
CID 7015308
(2S)-2-amino-N-(3-chlorophenyl)-3-(1H-imidazol-5-yl)propanamide
CID 110837682
(2S)-2-amino-3-(1H-imidazol-5-yl)-N'-naphthalen-2-ylsulfonylpropanehydrazide
CID 44591545
2-amino-N-naphthalen-2-yl-3-phenylpropanamide
CID 577793
(2R)-2-amino-3-(1H-imidazol-5-yl)-N-[2-(1H-indol-2-yl)ethyl]propanamide
CID 146440140
N-[4-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-2-methoxyphenyl]butanamide
CID 46985006
(3S)-3-amino-4-(1H-imidazol-5-yl)-1-naphthalen-1-ylbutan-2-one;dihydrochloride
CID 44582648
2-amino-4-methyl-N-naphthalen-2-ylpentanamide chloride
CID 5351894
(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid;dihydrate
CID 175739992
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide (CID 688489) is (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide is N[C@@H](Cc1cnc[nH]1)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide?
The InChIKey is DKDILZBBFKZMRO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-15(8-14-9-18-10-19-14)16(21)20-13-6-5-11-3-1-2-4-12(11)7-13/h1-7,9-10,15H,8,17H2,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide?
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(1H-imidazol-5-yl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 688489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).