4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide

C17H25NO3 — CID 129418432

IUPAC4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
SMILESCC(C)[C@@](C)(CO)NC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)17(3,11-19)18-16(20)14-6-8-15(9-7-14)21-10-13-4-5-13/h6-9,12-13,19H,4-5,10-11H2,1-3H3,(H,18,20)/t17-/m1/s1
InChIKeyMDDNUZQLFVQSIT-QGZVFWFLSA-N
MW291.39 g/mol
LogP2.61
Rot. Bonds7

About 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide

4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide (PubChem CID 129418432) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
PubChem CID129418432
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide
SMILESCC(C)[C@@](C)(CO)NC(=O)c1ccc(OCC2CC2)cc1
InChIInChI=1S/C17H25NO3/c1-12(2)17(3,11-19)18-16(20)14-6-8-15(9-7-14)21-10-13-4-5-13/h6-9,12-13,19H,4-5,10-11H2,1-3H3,(H,18,20)/t17-/m1/s1
InChIKeyMDDNUZQLFVQSIT-QGZVFWFLSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-4-(cyclopropylmethoxy)benzamide
CID 94811395
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
4-(cyclopropylmethoxy)-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111461405
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
2-[[4-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119223456
4-(cyclopropylmethoxy)-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120654846
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
CID 71350280
4-(cyclopropylmethoxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)benzamide
CID 111442251
4-[[1-(2-methylpropanoyl)piperidin-4-yl]methoxy]-N-propan-2-ylbenzamide
CID 53150582
4-(cyclopropylmethoxy)-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 60571522

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide?
The IUPAC name of 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide (CID 129418432) is 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide?
The canonical SMILES for 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide is CC(C)[C@@](C)(CO)NC(=O)c1ccc(OCC2CC2)cc1.
What is the InChIKey of 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide?
The InChIKey is MDDNUZQLFVQSIT-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12(2)17(3,11-19)18-16(20)14-6-8-15(9-7-14)21-10-13-4-5-13/h6-9,12-13,19H,4-5,10-11H2,1-3H3,(H,18,20)/t17-/m1/s1.
What are the key properties of 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide?
4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide has a molecular weight of 291.39 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethoxy)-N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]benzamide is sourced from PubChem (CID 129418432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).