3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride

C17H25BrClN3O2 — CID 119478278

IUPAC3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC1CCC(N)CC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-11(22)20-16(12-2-4-13(18)5-3-12)10-17(23)21-15-8-6-14(19)7-9-15;/h2-5,14-16H,6-10,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyNIYVPADRPKCGEX-UHFFFAOYSA-N
MW418.76 g/mol
LogP2.82
Rot. Bonds5

About 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride

3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride (PubChem CID 119478278) has the molecular formula C17H25BrClN3O2 and a molecular weight of 418.76 g/mol. Its IUPAC name is 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
PubChem CID119478278
Molecular FormulaC17H25BrClN3O2
Molecular Weight418.76 g/mol
Exact Mass417.08
IUPAC Name3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride
SMILESCC(=O)NC(CC(=O)NC1CCC(N)CC1)c1ccc(Br)cc1.Cl
InChIInChI=1S/C17H24BrN3O2.ClH/c1-11(22)20-16(12-2-4-13(18)5-3-12)10-17(23)21-15-8-6-14(19)7-9-15;/h2-5,14-16H,6-10,19H2,1H3,(H,20,22)(H,21,23);1H
InChIKeyNIYVPADRPKCGEX-UHFFFAOYSA-N
XLogP2.82
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.76
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(4-bromophenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119389659
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
3-acetamido-N-(1-benzoylpiperidin-4-yl)-3-(4-bromophenyl)propanamide
CID 112803125
3-acetamido-N-(1-amino-2-methylpropan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119524471
3-acetamido-3-(4-bromophenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577272
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
CID 51622723
3-acetamido-3-(4-bromophenyl)-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
CID 119463786
3-acetamido-N-benzhydryl-3-(4-bromophenyl)propanamide
CID 112816640
N-[(1S)-3-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-1-(4-bromophenyl)-3-oxopropyl]acetamide
CID 124611964
(3R)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752328
(3S)-3-acetamido-N-[(1S)-1-(4-bromophenyl)ethyl]-3-phenylpropanamide
CID 8752320
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride (CID 119478278) is 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride is CC(=O)NC(CC(=O)NC1CCC(N)CC1)c1ccc(Br)cc1.Cl.
What is the InChIKey of 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride?
The InChIKey is NIYVPADRPKCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2.ClH/c1-11(22)20-16(12-2-4-13(18)5-3-12)10-17(23)21-15-8-6-14(19)7-9-15;/h2-5,14-16H,6-10,19H2,1H3,(H,20,22)(H,21,23);1H.
What are the key properties of 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride?
3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride has a molecular weight of 418.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4-aminocyclohexyl)-3-(4-bromophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119478278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).