N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide

C17H25N3O — CID 146394934

IUPACN-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(C)c2c1CC(C(=O)NC1CCC(N)CC1)N2
InChIInChI=1S/C17H25N3O/c1-10-3-4-11(2)16-14(10)9-15(20-16)17(21)19-13-7-5-12(18)6-8-13/h3-4,12-13,15,20H,5-9,18H2,1-2H3,(H,19,21)
InChIKeyNWCMLWOEJAGKIZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.03
Rot. Bonds2

About N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide

N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 146394934) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID146394934
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc(C)c2c1CC(C(=O)NC1CCC(N)CC1)N2
InChIInChI=1S/C17H25N3O/c1-10-3-4-11(2)16-14(10)9-15(20-16)17(21)19-13-7-5-12(18)6-8-13/h3-4,12-13,15,20H,5-9,18H2,1-2H3,(H,19,21)
InChIKeyNWCMLWOEJAGKIZ-UHFFFAOYSA-N
XLogP2.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide (CID 146394934) is N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc(C)c2c1CC(C(=O)NC1CCC(N)CC1)N2.
What is the InChIKey of N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is NWCMLWOEJAGKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-10-3-4-11(2)16-14(10)9-15(20-16)17(21)19-13-7-5-12(18)6-8-13/h3-4,12-13,15,20H,5-9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide?
N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4,7-dimethyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 146394934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).