N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide

C20H21N3O3 — CID 58417437

IUPACN-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
SMILESCC[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H21N3O3/c1-3-16(13-8-10-14(11-9-13)19(24)22-26)21-20(25)18-12-15-6-4-5-7-17(15)23(18)2/h4-12,16,26H,3H2,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyODXDIDSNQJDDFG-INIZCTEOSA-N
MW351.41 g/mol
LogP3.18
Rot. Bonds5

About N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide

N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide (PubChem CID 58417437) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
PubChem CID58417437
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide
SMILESCC[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1
InChIInChI=1S/C20H21N3O3/c1-3-16(13-8-10-14(11-9-13)19(24)22-26)21-20(25)18-12-15-6-4-5-7-17(15)23(18)2/h4-12,16,26H,3H2,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1
InChIKeyODXDIDSNQJDDFG-INIZCTEOSA-N
XLogP3.18
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-[4-(hydroxycarbamoyl)phenyl]-2-methylpropyl]-1-methylindole-2-carboxamide
CID 58417663
3-(4-fluorophenyl)-3-[(1-methylindole-2-carbonyl)amino]propanoic acid
CID 167977206
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
3-methyl-2-[(1-methylindole-2-carbonyl)amino]butanoic acid
CID 118985938
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-methylindole-2-carboxamide
CID 29130862
N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[1-[4-(hydroxycarbamoyl)phenyl]butyl]-1-benzofuran-2-carboxamide
CID 76779904
3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 43904504
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide (CID 58417437) is N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide is CC[C@H](NC(=O)c1cc2ccccc2n1C)c1ccc(C(=O)NO)cc1.
What is the InChIKey of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide?
The InChIKey is ODXDIDSNQJDDFG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-16(13-8-10-14(11-9-13)19(24)22-26)21-20(25)18-12-15-6-4-5-7-17(15)23(18)2/h4-12,16,26H,3H2,1-2H3,(H,21,25)(H,22,24)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide?
N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(hydroxycarbamoyl)phenyl]propyl]-1-methylindole-2-carboxamide is sourced from PubChem (CID 58417437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).