N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide

C15H21BrN2O — CID 60867633

IUPACN-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
SMILESCCC(NC(=O)CNCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-2-14(12-5-7-13(16)8-6-12)18-15(19)10-17-9-11-3-4-11/h5-8,11,14,17H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyXQRYYKPSJCKREN-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.02
Rot. Bonds7

About N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide

N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 60867633) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID60867633
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide
SMILESCCC(NC(=O)CNCC1CC1)c1ccc(Br)cc1
InChIInChI=1S/C15H21BrN2O/c1-2-14(12-5-7-13(16)8-6-12)18-15(19)10-17-9-11-3-4-11/h5-8,11,14,17H,2-4,9-10H2,1H3,(H,18,19)
InChIKeyXQRYYKPSJCKREN-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)propyl]acetamide;hydrochloride
CID 119687041
N-[1-(4-bromophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119753177
N-[1-(4-bromophenyl)propyl]-2-(2-methoxyethylamino)acetamide
CID 78914131
N-[(4-bromophenyl)-phenylmethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119750778
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-[1-(4-bromophenyl)propyl]-2-(tert-butylamino)acetamide
CID 112723289
1-[2-[[(1S)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 9443034
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(4-bromophenyl)propyl]propanamide
CID 46418106
3-[[2-(cyclopropylmethylamino)acetyl]amino]-3-phenylpropanoic acid
CID 61157097
5-bromo-N-[2-[1-(4-bromophenyl)propylamino]-2-oxoethyl]furan-2-carboxamide
CID 43011607
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
2-(cyclopropylmethylamino)-N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]acetamide;hydrochloride
CID 119724732

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide (CID 60867633) is N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide is CCC(NC(=O)CNCC1CC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is XQRYYKPSJCKREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-14(12-5-7-13(16)8-6-12)18-15(19)10-17-9-11-3-4-11/h5-8,11,14,17H,2-4,9-10H2,1H3,(H,18,19).
What are the key properties of N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide?
N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 325.25 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 60867633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).