(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide

C23H22N4O2 — CID 7022352

IUPAC(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
SMILESNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H22N4O2/c24-13-22(28)27-21(12-17-14-25-20-8-4-3-7-19(17)20)23(29)26-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,14,21,25H,12-13,24H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeyOCFNAQIEUDCHBL-NRFANRHFSA-N
MW386.46 g/mol
LogP2.95
Rot. Bonds6

About (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide

(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide (PubChem CID 7022352) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
PubChem CID7022352
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide
SMILESNCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C23H22N4O2/c24-13-22(28)27-21(12-17-14-25-20-8-4-3-7-19(17)20)23(29)26-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,14,21,25H,12-13,24H2,(H,26,29)(H,27,28)/t21-/m0/s1
InChIKeyOCFNAQIEUDCHBL-NRFANRHFSA-N
XLogP2.95
TPSA100.01 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(1H-indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]-4-(methylcarbamothioylamino)butanamide
CID 10228079
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-3-(1H-indol-3-yl)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl]pentanamide
CID 58887379
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]butanedioic acid
CID 145455702
2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylacetic acid
CID 141285325
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoic acid
CID 18221172
2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
CID 71443936
3-[[(2S)-1-(4-hydroxyanilino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-oxopropanoic acid
CID 177375477
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoic acid
CID 11512866
2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoic acid
CID 14308361
4-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoic acid
CID 18221163
4-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 167920881
N-[(2S)-1-anilino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-methylbutanamide
CID 110286559

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide?
The IUPAC name of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide (CID 7022352) is (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide is NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide?
The InChIKey is OCFNAQIEUDCHBL-NRFANRHFSA-N. The full InChI is InChI=1S/C23H22N4O2/c24-13-22(28)27-21(12-17-14-25-20-8-4-3-7-19(17)20)23(29)26-18-10-9-15-5-1-2-6-16(15)11-18/h1-11,14,21,25H,12-13,24H2,(H,26,29)(H,27,28)/t21-/m0/s1.
What are the key properties of (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide?
(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide has a molecular weight of 386.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 7022352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).