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

C15H23N3O2 — CID 61140590

IUPAC3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H23N3O2/c1-4-10(2)18-14(19)8-9-17-15(20)12-6-5-7-13(16)11(12)3/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKWMZEEPERPECHC-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.61
Rot. Bonds6

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

3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide (PubChem CID 61140590) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
PubChem CID61140590
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide
SMILESCCC(C)NC(=O)CCNC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H23N3O2/c1-4-10(2)18-14(19)8-9-17-15(20)12-6-5-7-13(16)11(12)3/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyKWMZEEPERPECHC-UHFFFAOYSA-N
XLogP1.61
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-2,3-dihydroxybenzamide
CID 114344226
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-fluoro-3-methylbenzamide
CID 80718445
3-[[2-(2-aminophenyl)acetyl]amino]-N-butan-2-ylpropanamide
CID 61140780
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-iodobenzamide
CID 61150251
[2-(butan-2-ylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61320756
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-fluoro-2-(methylamino)benzamide
CID 62662116
3-amino-N-[3-(diethylamino)-3-oxopropyl]-2-methylbenzamide
CID 61102386
N-[3-(butan-2-ylamino)-3-oxopropyl]-2-hydrazinylpyridine-3-carboxamide
CID 62242210
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191435
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]-2-methylbenzamide
CID 18070893
3-amino-2-methyl-N-(2-propan-2-yloxyethyl)benzamide
CID 113449772
5-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methoxybenzamide
CID 61138881

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide (CID 61140590) is 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide is CCC(C)NC(=O)CCNC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
The InChIKey is KWMZEEPERPECHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-10(2)18-14(19)8-9-17-15(20)12-6-5-7-13(16)11(12)3/h5-7,10H,4,8-9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide?
3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(butan-2-ylamino)-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 61140590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).