3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide

C17H25BrN2O — CID 61021329

IUPAC3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C17H25BrN2O/c1-3-12(2)20-17(21)7-8-19-16-10-14(11-16)13-5-4-6-15(18)9-13/h4-6,9,12,14,16,19H,3,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyGXPJPWBCBBBLHK-UHFFFAOYSA-N
MW353.30 g/mol
LogP3.59
Rot. Bonds7

About 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide

3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide (PubChem CID 61021329) has the molecular formula C17H25BrN2O and a molecular weight of 353.30 g/mol. Its IUPAC name is 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
PubChem CID61021329
Molecular FormulaC17H25BrN2O
Molecular Weight353.30 g/mol
Exact Mass352.12
IUPAC Name3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCNC1CC(c2cccc(Br)c2)C1
InChIInChI=1S/C17H25BrN2O/c1-3-12(2)20-17(21)7-8-19-16-10-14(11-16)13-5-4-6-15(18)9-13/h4-6,9,12,14,16,19H,3,7-8,10-11H2,1-2H3,(H,20,21)
InChIKeyGXPJPWBCBBBLHK-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.30
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-3-[[3-(3-methylphenyl)cyclobutyl]amino]propanamide
CID 61021464
3-[[3-(3-bromophenyl)cyclobutyl]amino]propanoic acid
CID 43635224
N-[2-[[3-(3-bromophenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634641
ethyl 4-[[3-(3-bromophenyl)cyclobutyl]amino]butanoate
CID 64580836
N-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)propanamide
CID 54901056
3-(3-bromophenyl)-N-(3-propan-2-yloxypropyl)cyclobutan-1-amine
CID 43634794
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-tert-butylacetamide
CID 115355958
4-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 106840971
2-[[3-(3-bromophenyl)cyclobutyl]amino]-N-ethyl-N-methylacetamide
CID 106704308
3-[[3-(3-bromophenyl)cyclobutyl]amino]butan-1-ol
CID 83177483
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide?
The IUPAC name of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide (CID 61021329) is 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCNC1CC(c2cccc(Br)c2)C1.
What is the InChIKey of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide?
The InChIKey is GXPJPWBCBBBLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O/c1-3-12(2)20-17(21)7-8-19-16-10-14(11-16)13-5-4-6-15(18)9-13/h4-6,9,12,14,16,19H,3,7-8,10-11H2,1-2H3,(H,20,21).
What are the key properties of 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide?
3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide has a molecular weight of 353.30 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-bromophenyl)cyclobutyl]amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 61021329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).