N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide

C15H22N2O2 — CID 17191435

IUPACN-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-12(3)17-14(18)8-9-16-15(19)13-7-5-6-11(2)10-13/h5-7,10,12H,4,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZBNQEOIYUWQNSD-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.03
Rot. Bonds6

About N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide (PubChem CID 17191435) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
PubChem CID17191435
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-12(3)17-14(18)8-9-16-15(19)13-7-5-6-11(2)10-13/h5-7,10,12H,4,8-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZBNQEOIYUWQNSD-UHFFFAOYSA-N
XLogP2.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-phenoxybenzamide
CID 60552825
N-[3-(benzhydrylamino)-3-oxopropyl]-3-methylbenzamide
CID 2442272
N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816424
N-[3-[[(2S)-butan-2-yl]amino]-3-oxopropyl]-2H-benzotriazole-5-carboxamide
CID 94816425
methyl 4-methyl-2-[3-[(3-methylbenzoyl)amino]propanoylamino]pentanoate
CID 51064933
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
N-[3-(tert-butylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191330
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-chloropyridine-4-carboxamide
CID 61053305
N-[3-(1,2-diphenylethylamino)-3-oxopropyl]-3-methylbenzamide
CID 43021863
N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226

Frequently Asked Questions

What is the IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide?
The IUPAC name of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide (CID 17191435) is N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide is CCC(C)NC(=O)CCNC(=O)c1cccc(C)c1.
What is the InChIKey of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide?
The InChIKey is ZBNQEOIYUWQNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-12(3)17-14(18)8-9-16-15(19)13-7-5-6-11(2)10-13/h5-7,10,12H,4,8-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide?
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide is sourced from PubChem (CID 17191435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).