3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide

C19H21N3O3 — CID 9325774

IUPAC3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
SMILESCC(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(2)9-17(23)21-15-7-4-6-14(11-15)19(25)22-16-8-3-5-13(10-16)18(20)24/h3-8,10-12H,9H2,1-2H3,(H2,20,24)(H,21,23)(H,22,25)
InChIKeyDPZZJPWRKULFPV-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.02
Rot. Bonds6

About 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide

3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide (PubChem CID 9325774) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide.

Molecular Properties

Compound Name3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
PubChem CID9325774
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
SMILESCC(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C19H21N3O3/c1-12(2)9-17(23)21-15-7-4-6-14(11-15)19(25)22-16-8-3-5-13(10-16)18(20)24/h3-8,10-12H,9H2,1-2H3,(H2,20,24)(H,21,23)(H,22,25)
InChIKeyDPZZJPWRKULFPV-UHFFFAOYSA-N
XLogP3.02
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(3-methylbutanoylamino)phenyl]carbamoyl]benzoic acid
CID 2232856
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
3-[(3-methylbutanoylamino)carbamoyl]benzamide
CID 30828709
methyl 3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]benzoate
CID 17194141
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
3-[[2-[4-(3-methylbutanoylamino)anilino]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 54832794
3-[(3-hydroxybenzoyl)amino]benzamide
CID 103605136
N-[3-(3,4-dimethylbenzoyl)phenyl]-3-methylbutanamide
CID 766020
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
N-[2-(3-acetylanilino)-2-oxoethyl]-3-methylbutanamide
CID 112999507

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide?
The IUPAC name of 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide (CID 9325774) is 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide.
What is the SMILES notation for 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide?
The canonical SMILES for 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide is CC(C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide?
The InChIKey is DPZZJPWRKULFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)9-17(23)21-15-7-4-6-14(11-15)19(25)22-16-8-3-5-13(10-16)18(20)24/h3-8,10-12H,9H2,1-2H3,(H2,20,24)(H,21,23)(H,22,25).
What are the key properties of 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide?
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide is sourced from PubChem (CID 9325774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).