2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine

C19H21N3O — CID 158172192

IUPAC2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine
SMILESCc1ccc(C(N)=O)c(C2CC2)c1.Nc1c[nH]c2ccccc12
InChIInChI=1S/C11H13NO.C8H8N2/c1-7-2-5-9(11(12)13)10(6-7)8-3-4-8;9-7-5-10-8-4-2-1-3-6(7)8/h2,5-6,8H,3-4H2,1H3,(H2,12,13);1-5,10H,9H2
InChIKeyFXOXZJRZQSRAAM-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.72
Rot. Bonds2

About 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine

2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine (PubChem CID 158172192) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine
PubChem CID158172192
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine
SMILESCc1ccc(C(N)=O)c(C2CC2)c1.Nc1c[nH]c2ccccc12
InChIInChI=1S/C11H13NO.C8H8N2/c1-7-2-5-9(11(12)13)10(6-7)8-3-4-8;9-7-5-10-8-4-2-1-3-6(7)8/h2,5-6,8H,3-4H2,1H3,(H2,12,13);1-5,10H,9H2
InChIKeyFXOXZJRZQSRAAM-UHFFFAOYSA-N
XLogP3.72
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-4-yl]-4-methylbenzamide
CID 69110936
3-cyclopropyl-7-methyl-1H-quinolin-4-one
CID 156532948
1-[2-(1H-indol-3-yl)-5-methylphenyl]propan-1-one
CID 174735323
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
2-(1H-indol-3-yl)-6-methyl-2,3-dihydro-1H-phenanthro[9,10-d]imidazole
CID 143655533
(2-amino-5-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone
CID 65453793
(2R)-N-(2-bromo-4-methylphenyl)-2-[4-(1H-indol-3-yl)piperidin-1-yl]propanamide
CID 41414954
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
2-(1H-indol-3-yl)-1-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088041
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
ethyl 4-cyclopropyl-2-[[2-(1H-indol-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 18287759

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine?
The IUPAC name of 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine (CID 158172192) is 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine.
What is the SMILES notation for 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine?
The canonical SMILES for 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine is Cc1ccc(C(N)=O)c(C2CC2)c1.Nc1c[nH]c2ccccc12.
What is the InChIKey of 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine?
The InChIKey is FXOXZJRZQSRAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C8H8N2/c1-7-2-5-9(11(12)13)10(6-7)8-3-4-8;9-7-5-10-8-4-2-1-3-6(7)8/h2,5-6,8H,3-4H2,1H3,(H2,12,13);1-5,10H,9H2.
What are the key properties of 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine?
2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine has a molecular weight of 307.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methylbenzamide;1H-indol-3-amine is sourced from PubChem (CID 158172192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).