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

C17H25NO3 — CID 111461405

IUPAC4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)16(19)9-10-18-17(20)14-5-7-15(8-6-14)21-11-13-3-4-13/h5-8,12-13,16,19H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyPSWRWOWCIRWXNA-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.61
Rot. Bonds8

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

4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide (PubChem CID 111461405) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
PubChem CID111461405
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
SMILESCC(C)C(O)CCNC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)16(19)9-10-18-17(20)14-5-7-15(8-6-14)21-11-13-3-4-13/h5-8,12-13,16,19H,3-4,9-11H2,1-2H3,(H,18,20)
InChIKeyPSWRWOWCIRWXNA-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-4-methylpentyl)-4-prop-2-enoxybenzamide
CID 111461166
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
N-(3-hydroxy-4-methylpentyl)naphthalene-2-carboxamide
CID 111461088
4-N-(2,2-dimethylpropyl)-1-N-(3-hydroxy-4-methylpentyl)benzene-1,4-dicarboxamide
CID 111461080
N-(3-anilinopropyl)-4-(cyclopropylmethoxy)benzamide
CID 56541657
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide
CID 94811395
4-(cyclopropylmethoxy)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565689
4-(cyclopropylmethoxy)-N-[2-[(R)-phenylsulfinyl]ethyl]benzamide
CID 95618513
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
CID 129418432

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide (CID 111461405) is 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide is CC(C)C(O)CCNC(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide?
The InChIKey is PSWRWOWCIRWXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)16(19)9-10-18-17(20)14-5-7-15(8-6-14)21-11-13-3-4-13/h5-8,12-13,16,19H,3-4,9-11H2,1-2H3,(H,18,20).
What are the key properties of 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide?
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide is sourced from PubChem (CID 111461405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).