N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide

C17H25BrN2O — CID 79116903

IUPACN-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(Br)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H25BrN2O/c1-2-11-20(16-9-7-15(19)8-10-16)17(21)12-13-3-5-14(18)6-4-13/h3-6,15-16H,2,7-12,19H2,1H3
InChIKeyJJTPXDHAOCPUMQ-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.50
Rot. Bonds5

About N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide

N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide (PubChem CID 79116903) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide
PubChem CID79116903
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC NameN-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide
SMILESCCCN(C(=O)Cc1ccc(Br)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H25BrN2O/c1-2-11-20(16-9-7-15(19)8-10-16)17(21)12-13-3-5-14(18)6-4-13/h3-6,15-16H,2,7-12,19H2,1H3
InChIKeyJJTPXDHAOCPUMQ-UHFFFAOYSA-N
XLogP3.50
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromophenyl)-N-(2-chloroethyl)-N-cyclobutylacetamide
CID 102872883
2-(4-bromophenyl)-N-(5,6-dimethoxy-2,3-dihydro-1H-inden-2-yl)-N-propylacetamide
CID 10972080
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
N-butyl-2-(4-carbamothioylphenyl)-N-cyclopropylacetamide
CID 63590160
N-(4-aminocyclohexyl)-5-bromo-N-propylthiophene-2-carboxamide
CID 79111791
N-(4-aminocyclohexyl)-2-cyclopentyl-N-propylacetamide
CID 79111500
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866
2-(4-bromophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974020
2-(4-fluorophenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60805878
2-(4-methylphenyl)-N-piperidin-3-yl-N-propylacetamide
CID 60799979
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
2-(4-methoxyphenyl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60807367

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide (CID 79116903) is N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide is CCCN(C(=O)Cc1ccc(Br)cc1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide?
The InChIKey is JJTPXDHAOCPUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-2-11-20(16-9-7-15(19)8-10-16)17(21)12-13-3-5-14(18)6-4-13/h3-6,15-16H,2,7-12,19H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide?
N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide has a molecular weight of 353.30 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-bromophenyl)-N-propylacetamide is sourced from PubChem (CID 79116903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).