N-(3-aminobutyl)-3-(3-bromophenyl)propanamide

C13H19BrN2O — CID 119497411

IUPACN-(3-aminobutyl)-3-(3-bromophenyl)propanamide
SMILESCC(N)CCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(15)7-8-16-13(17)6-5-11-3-2-4-12(14)9-11/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)
InChIKeyRTIKJZTVDGBNQS-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.24
Rot. Bonds6

About N-(3-aminobutyl)-3-(3-bromophenyl)propanamide

N-(3-aminobutyl)-3-(3-bromophenyl)propanamide (PubChem CID 119497411) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(3-bromophenyl)propanamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(3-bromophenyl)propanamide
PubChem CID119497411
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC NameN-(3-aminobutyl)-3-(3-bromophenyl)propanamide
SMILESCC(N)CCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C13H19BrN2O/c1-10(15)7-8-16-13(17)6-5-11-3-2-4-12(14)9-11/h2-4,9-10H,5-8,15H2,1H3,(H,16,17)
InChIKeyRTIKJZTVDGBNQS-UHFFFAOYSA-N
XLogP2.24
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
N-(3-aminobutyl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119498486
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119502303
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
(2S)-4-(3-bromophenyl)butan-2-amine
CID 93264333
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201
N-(3-aminobutyl)-3-(4-bromothiophen-2-yl)propanamide;hydrochloride
CID 119499711
N-(3-amino-3-phenylpropyl)-2-(3-bromophenyl)acetamide
CID 80506871

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(3-bromophenyl)propanamide?
The IUPAC name of N-(3-aminobutyl)-3-(3-bromophenyl)propanamide (CID 119497411) is N-(3-aminobutyl)-3-(3-bromophenyl)propanamide.
What is the SMILES notation for N-(3-aminobutyl)-3-(3-bromophenyl)propanamide?
The canonical SMILES for N-(3-aminobutyl)-3-(3-bromophenyl)propanamide is CC(N)CCNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of N-(3-aminobutyl)-3-(3-bromophenyl)propanamide?
The InChIKey is RTIKJZTVDGBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-10(15)7-8-16-13(17)6-5-11-3-2-4-12(14)9-11/h2-4,9-10H,5-8,15H2,1H3,(H,16,17).
What are the key properties of N-(3-aminobutyl)-3-(3-bromophenyl)propanamide?
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide has a molecular weight of 299.21 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(3-bromophenyl)propanamide is sourced from PubChem (CID 119497411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).