4-(propanoylamino)-N,N-di(propan-2-yl)benzamide

C16H24N2O2 — CID 110178310

IUPAC4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-6-15(19)17-14-9-7-13(8-10-14)16(20)18(11(2)3)12(4)5/h7-12H,6H2,1-5H3,(H,17,19)
InChIKeyAGIVPUWGLDPZGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.29
Rot. Bonds5

About 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide

4-(propanoylamino)-N,N-di(propan-2-yl)benzamide (PubChem CID 110178310) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
PubChem CID110178310
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(propanoylamino)-N,N-di(propan-2-yl)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)N(C(C)C)C(C)C)cc1
InChIInChI=1S/C16H24N2O2/c1-6-15(19)17-14-9-7-13(8-10-14)16(20)18(11(2)3)12(4)5/h7-12H,6H2,1-5H3,(H,17,19)
InChIKeyAGIVPUWGLDPZGP-UHFFFAOYSA-N
XLogP3.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(decanoylamino)-N-[4-[di(propan-2-yl)carbamoyl]phenyl]benzamide
CID 3647584
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
2-[2-[4-[di(propan-2-yl)carbamoyl]anilino]-2-oxoethyl]benzoic acid
CID 10022786
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-methylpropanoate
CID 7782413
S-methyl 4-(propanoylamino)benzenecarbothioate
CID 142069454
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
N-benzyl-N-ethyl-4-(propanoylamino)benzamide
CID 17257316
N-[4-(2-chloroacetyl)phenyl]propanamide
CID 3429836
N,N-dimethyl-4-(3-methylbutanoylamino)benzamide
CID 38105549
N-[4-(2-bromobutanoyl)phenyl]propanamide
CID 82136336

Frequently Asked Questions

What is the IUPAC name of 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide?
The IUPAC name of 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide (CID 110178310) is 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide?
The canonical SMILES for 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide is CCC(=O)Nc1ccc(C(=O)N(C(C)C)C(C)C)cc1.
What is the InChIKey of 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide?
The InChIKey is AGIVPUWGLDPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-15(19)17-14-9-7-13(8-10-14)16(20)18(11(2)3)12(4)5/h7-12H,6H2,1-5H3,(H,17,19).
What are the key properties of 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide?
4-(propanoylamino)-N,N-di(propan-2-yl)benzamide has a molecular weight of 276.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propanoylamino)-N,N-di(propan-2-yl)benzamide is sourced from PubChem (CID 110178310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).