N-octan-4-yl-2-(propan-2-ylamino)benzamide

C18H30N2O — CID 106027367

IUPACN-octan-4-yl-2-(propan-2-ylamino)benzamide
SMILESCCCCC(CCC)NC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C18H30N2O/c1-5-7-11-15(10-6-2)20-18(21)16-12-8-9-13-17(16)19-14(3)4/h8-9,12-15,19H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyJFPSFDANKSYMEI-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.60
Rot. Bonds9

About N-octan-4-yl-2-(propan-2-ylamino)benzamide

N-octan-4-yl-2-(propan-2-ylamino)benzamide (PubChem CID 106027367) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-octan-4-yl-2-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-octan-4-yl-2-(propan-2-ylamino)benzamide
PubChem CID106027367
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-octan-4-yl-2-(propan-2-ylamino)benzamide
SMILESCCCCC(CCC)NC(=O)c1ccccc1NC(C)C
InChIInChI=1S/C18H30N2O/c1-5-7-11-15(10-6-2)20-18(21)16-12-8-9-13-17(16)19-14(3)4/h8-9,12-15,19H,5-7,10-11H2,1-4H3,(H,20,21)
InChIKeyJFPSFDANKSYMEI-UHFFFAOYSA-N
XLogP4.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-octan-4-yl-2-(propan-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-(propan-2-ylamino)benzamide
CID 65313573
2-(propan-2-ylamino)-N-propylbenzamide
CID 63107529
N-ethyl-2-(propan-2-ylamino)benzamide
CID 63107552
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
N-heptadecan-9-yl-2-methylbenzamide
CID 3929540
3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
CID 106025859
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(propan-2-ylamino)benzamide
CID 106257692
2-[[2-(heptan-4-ylamino)benzoyl]amino]benzoic acid
CID 139801207
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-2-(propan-2-ylamino)benzamide?
The IUPAC name of N-octan-4-yl-2-(propan-2-ylamino)benzamide (CID 106027367) is N-octan-4-yl-2-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-octan-4-yl-2-(propan-2-ylamino)benzamide?
The canonical SMILES for N-octan-4-yl-2-(propan-2-ylamino)benzamide is CCCCC(CCC)NC(=O)c1ccccc1NC(C)C.
What is the InChIKey of N-octan-4-yl-2-(propan-2-ylamino)benzamide?
The InChIKey is JFPSFDANKSYMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-5-7-11-15(10-6-2)20-18(21)16-12-8-9-13-17(16)19-14(3)4/h8-9,12-15,19H,5-7,10-11H2,1-4H3,(H,20,21).
What are the key properties of N-octan-4-yl-2-(propan-2-ylamino)benzamide?
N-octan-4-yl-2-(propan-2-ylamino)benzamide has a molecular weight of 290.45 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-2-(propan-2-ylamino)benzamide is sourced from PubChem (CID 106027367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).