3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide

C17H24N2O3 — CID 111460763

IUPAC3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H24N2O3/c1-11(2)15(20)8-9-18-16(21)13-4-3-5-14(10-13)19-17(22)12-6-7-12/h3-5,10-12,15,20H,6-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNCDBBWDWRFJEEN-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.17
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide

3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide (PubChem CID 111460763) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
PubChem CID111460763
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C17H24N2O3/c1-11(2)15(20)8-9-18-16(21)13-4-3-5-14(10-13)19-17(22)12-6-7-12/h3-5,10-12,15,20H,6-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNCDBBWDWRFJEEN-UHFFFAOYSA-N
XLogP2.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945
N-(2-aminoethyl)-3-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119384006
3-(cyclopropanecarbonylamino)-N-prop-2-ynylbenzamide
CID 30600577
3-(cyclohexanecarbonylamino)-N-(2-hydroxypropyl)benzamide
CID 78866245
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-[4-[2-[(3-hydroxy-4-methylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 111470381
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
2-[2-[[3-(cyclopropanecarbonylamino)benzoyl]amino]ethylsulfanyl]acetic acid
CID 119241565
3-(cyclopropanecarbonylamino)-N-(6-methylheptan-2-yl)benzamide
CID 51158620
3-(cyclohexanecarbonylamino)-N-(2-methoxyethyl)benzamide
CID 17218956
3-(cyclohexanecarbonylamino)-N-[2-(ethylamino)ethyl]benzamide
CID 119508589

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide (CID 111460763) is 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide is CC(C)C(O)CCNC(=O)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide?
The InChIKey is NCDBBWDWRFJEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-11(2)15(20)8-9-18-16(21)13-4-3-5-14(10-13)19-17(22)12-6-7-12/h3-5,10-12,15,20H,6-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide has a molecular weight of 304.39 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(3-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 111460763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).