3-(heptan-3-ylamino)-N-propan-2-ylbenzamide

C17H28N2O — CID 63945899

IUPAC3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
SMILESCCCCC(CC)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-5-7-10-15(6-2)19-16-11-8-9-14(12-16)17(20)18-13(3)4/h8-9,11-13,15,19H,5-7,10H2,1-4H3,(H,18,20)
InChIKeySNEDOICEPDAOSP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.21
Rot. Bonds8

About 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide

3-(heptan-3-ylamino)-N-propan-2-ylbenzamide (PubChem CID 63945899) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
PubChem CID63945899
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
SMILESCCCCC(CC)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C17H28N2O/c1-5-7-10-15(6-2)19-16-11-8-9-14(12-16)17(20)18-13(3)4/h8-9,11-13,15,19H,5-7,10H2,1-4H3,(H,18,20)
InChIKeySNEDOICEPDAOSP-UHFFFAOYSA-N
XLogP4.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(heptan-3-ylamino)-N-methylbenzamide
CID 63944894
3-(5-methylheptan-3-ylamino)-N-propan-2-ylbenzamide
CID 43693956
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
3-(1-phenylethylamino)-N-propan-2-ylbenzamide
CID 43693971
3-(2-methylpropanoylamino)-N-pentan-3-ylbenzamide
CID 899507
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555
3-(hexanoylcarbamothioylamino)-N-propan-2-ylbenzamide
CID 17197737
N-[(2R)-1-hydroxypropan-2-yl]-3-(propan-2-ylamino)benzamide
CID 97329344
N-butyl-3-[[2-oxo-2-[3-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833779
3-butoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 26157613

Frequently Asked Questions

What is the IUPAC name of 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide (CID 63945899) is 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide is CCCCC(CC)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide?
The InChIKey is SNEDOICEPDAOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-10-15(6-2)19-16-11-8-9-14(12-16)17(20)18-13(3)4/h8-9,11-13,15,19H,5-7,10H2,1-4H3,(H,18,20).
What are the key properties of 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide?
3-(heptan-3-ylamino)-N-propan-2-ylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(heptan-3-ylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 63945899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).