N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide

C21H22N4O3 — CID 41040985

IUPACN-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N4O3/c1-14(26)23-19(15-7-3-2-4-8-15)12-21(28)25-24-20(27)11-16-13-22-18-10-6-5-9-17(16)18/h2-10,13,19,22H,11-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyRJDPOXOZWASLHV-IBGZPJMESA-N
MW378.43 g/mol
LogP2.13
Rot. Bonds6

About N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide

N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide (PubChem CID 41040985) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
PubChem CID41040985
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
SMILESCC(=O)N[C@@H](CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C21H22N4O3/c1-14(26)23-19(15-7-3-2-4-8-15)12-21(28)25-24-20(27)11-16-13-22-18-10-6-5-9-17(16)18/h2-10,13,19,22H,11-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyRJDPOXOZWASLHV-IBGZPJMESA-N
XLogP2.13
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876805
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N-[(1R)-3-[2-[2-(2,6-dimethylphenoxy)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 7999402
2-acetamido-3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 4224605
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 40855593
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
(3S)-3-acetamido-N-[(4-chlorophenyl)methyl]-3-phenylpropanamide
CID 40939423
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The IUPAC name of N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide (CID 41040985) is N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide.
What is the SMILES notation for N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The canonical SMILES for N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide is CC(=O)N[C@@H](CC(=O)NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
The InChIKey is RJDPOXOZWASLHV-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14(26)23-19(15-7-3-2-4-8-15)12-21(28)25-24-20(27)11-16-13-22-18-10-6-5-9-17(16)18/h2-10,13,19,22H,11-12H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide?
N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide is sourced from PubChem (CID 41040985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).