N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide

C14H21BrN2O — CID 60842935

IUPACN-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-14(2,11-6-8-12(15)9-7-11)17-13(18)5-4-10-16-3/h6-9,16H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyFNVUYHHXCCTQPV-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.80
Rot. Bonds6

About N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide

N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide (PubChem CID 60842935) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
PubChem CID60842935
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC NameN-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NC(C)(C)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrN2O/c1-14(2,11-6-8-12(15)9-7-11)17-13(18)5-4-10-16-3/h6-9,16H,4-5,10H2,1-3H3,(H,17,18)
InChIKeyFNVUYHHXCCTQPV-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-4-hydroxybutanamide
CID 79203736
N-[2-(4-bromophenyl)propan-2-yl]-4-chlorobutanamide
CID 63308093
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
CID 119795625
N-[2-(4-methylphenyl)propan-2-yl]-6,7-dioxoheptanamide
CID 174266948
3-amino-N-[2-(4-bromophenyl)propan-2-yl]butanamide
CID 54923979
N-[2-(4-bromophenyl)propan-2-yl]-3-thiophen-2-ylpropanamide
CID 39613953
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119792992
4-amino-N-[2-(4-bromophenyl)propan-2-yl]-3-methylbutanamide
CID 81076217
N-[1-(4-bromophenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119753158
N-[2-(4-bromophenyl)propan-2-yl]but-2-enamide
CID 112727841

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide (CID 60842935) is N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide is CNCCCC(=O)NC(C)(C)c1ccc(Br)cc1.
What is the InChIKey of N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide?
The InChIKey is FNVUYHHXCCTQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-14(2,11-6-8-12(15)9-7-11)17-13(18)5-4-10-16-3/h6-9,16H,4-5,10H2,1-3H3,(H,17,18).
What are the key properties of N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide?
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide has a molecular weight of 313.24 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide is sourced from PubChem (CID 60842935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).