N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide

C25H29N3O — CID 167279632

IUPACN-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2ccccc2c1C)[C@]12CCC[C@]1(NCc1ccccc1)C2
InChIInChI=1S/C25H29N3O/c1-3-28(23(29)22-18(2)20-12-7-8-13-21(20)27-22)25-15-9-14-24(25,17-25)26-16-19-10-5-4-6-11-19/h4-8,10-13,26-27H,3,9,14-17H2,1-2H3/t24-,25-/m0/s1
InChIKeyWQVLRBXSXYWIEC-DQEYMECFSA-N
MW387.53 g/mol
LogP4.79
Rot. Bonds6

About N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide

N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide (PubChem CID 167279632) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide
PubChem CID167279632
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC NameN-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide
SMILESCCN(C(=O)c1[nH]c2ccccc2c1C)[C@]12CCC[C@]1(NCc1ccccc1)C2
InChIInChI=1S/C25H29N3O/c1-3-28(23(29)22-18(2)20-12-7-8-13-21(20)27-22)25-15-9-14-24(25,17-25)26-16-19-10-5-4-6-11-19/h4-8,10-13,26-27H,3,9,14-17H2,1-2H3/t24-,25-/m0/s1
InChIKeyWQVLRBXSXYWIEC-DQEYMECFSA-N
XLogP4.79
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(1R,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-1H-indole-2-carboxamide
CID 170238085
3-methyl-N-[(3-methylphenyl)methyl]-1H-indole-2-carboxamide
CID 113204204
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
2-O-[2-(benzylamino)-2-oxoethyl] 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 2483224
2-(3-methyl-1H-indol-2-yl)-2-oxoacetic acid
CID 96619133
1-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 53013284
(4-benzylpiperazin-1-yl)-(3-methyl-1H-indol-2-yl)methanone
CID 113204222
N-benzyl-N,3,6-trimethyl-1H-indole-2-carboxamide
CID 113204974
N-benzyl-5-chloro-N-ethyl-3-methyl-1H-indole-2-carboxamide
CID 113204705
N-(4-ethylphenyl)-3-methyl-1H-indole-2-carboxamide
CID 113204265
methyl 2-[[cyclopentyl-(3-methyl-1H-indole-2-carbonyl)amino]methyl]prop-2-enoate
CID 130177234
benzylcarbamic acid;N,N-dimethylformamide
CID 175901151

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide (CID 167279632) is N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide is CCN(C(=O)c1[nH]c2ccccc2c1C)[C@]12CCC[C@]1(NCc1ccccc1)C2.
What is the InChIKey of N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide?
The InChIKey is WQVLRBXSXYWIEC-DQEYMECFSA-N. The full InChI is InChI=1S/C25H29N3O/c1-3-28(23(29)22-18(2)20-12-7-8-13-21(20)27-22)25-15-9-14-24(25,17-25)26-16-19-10-5-4-6-11-19/h4-8,10-13,26-27H,3,9,14-17H2,1-2H3/t24-,25-/m0/s1.
What are the key properties of N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide?
N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide has a molecular weight of 387.53 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-5-(benzylamino)-1-bicyclo[3.1.0]hexanyl]-N-ethyl-3-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167279632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).