(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide

C21H21N3O2 — CID 131699253

IUPAC(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide
SMILESNCC(=O)N(c1ccc2ccccc2c1)[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C21H21N3O2/c22-14-20(25)24(18-11-10-16-8-4-5-9-17(16)13-18)19(21(23)26)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14,22H2,(H2,23,26)/t19-/m0/s1
InChIKeyZGEFGQOCURSOIW-IBGZPJMESA-N
MW347.42 g/mol
LogP2.23
Rot. Bonds6

About (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide

(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide (PubChem CID 131699253) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide
PubChem CID131699253
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide
SMILESNCC(=O)N(c1ccc2ccccc2c1)[C@@H](Cc1ccccc1)C(N)=O
InChIInChI=1S/C21H21N3O2/c22-14-20(25)24(18-11-10-16-8-4-5-9-17(16)13-18)19(21(23)26)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14,22H2,(H2,23,26)/t19-/m0/s1
InChIKeyZGEFGQOCURSOIW-IBGZPJMESA-N
XLogP2.23
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-3-oxobutanehydrazide
CID 123791890
2-(dimethylamino)-1-naphthalen-2-yl-3-phenylpropan-1-one
CID 13379507
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]benzamide
CID 10791760
2-[methyl(propan-2-yl)amino]-3-phenylpropanamide
CID 69053477
methyl (2S)-2-(N-(2-chloroacetyl)-4-methoxyanilino)-3-phenylpropanoate
CID 102387641
2-[[2-[(2-aminoacetyl)-naphthalen-2-ylamino]acetyl]-(2-amino-2-oxoethyl)amino]pent-3-ynoic acid
CID 91515149
3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide
CID 70069464
(2R)-N-carbamoyl-2-[methyl(3-naphthalen-2-ylpropanoyl)amino]-3-phenylpropanamide
CID 173291028
3-(aminomethyl)-N-[(2R)-1-[[(2R)-1-[2-(dimethylamino)-2-oxoethoxy]-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N-methylbenzamide
CID 54450099
2-[methyl(naphthalen-2-ylsulfonyl)amino]-3-phenylpropanoic acid
CID 19703222
2-[N-(aminomethyl)anilino]-3-phenylpropanoic acid
CID 70086779
(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide
CID 123701847

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide (CID 131699253) is (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide is NCC(=O)N(c1ccc2ccccc2c1)[C@@H](Cc1ccccc1)C(N)=O.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide?
The InChIKey is ZGEFGQOCURSOIW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H21N3O2/c22-14-20(25)24(18-11-10-16-8-4-5-9-17(16)13-18)19(21(23)26)12-15-6-2-1-3-7-15/h1-11,13,19H,12,14,22H2,(H2,23,26)/t19-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide?
(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide is sourced from PubChem (CID 131699253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).