2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C16H22N2O3 — CID 120944904

IUPAC2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1ccccc1OCC1CC1
InChIInChI=1S/C16H22N2O3/c19-14-9-17-7-12(14)8-18-16(20)13-3-1-2-4-15(13)21-10-11-5-6-11/h1-4,11-12,14,17,19H,5-10H2,(H,18,20)
InChIKeyAEKLNDSVDOCFMS-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.79
Rot. Bonds6

About 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120944904) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120944904
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1ccccc1OCC1CC1
InChIInChI=1S/C16H22N2O3/c19-14-9-17-7-12(14)8-18-16(20)13-3-1-2-4-15(13)21-10-11-5-6-11/h1-4,11-12,14,17,19H,5-10H2,(H,18,20)
InChIKeyAEKLNDSVDOCFMS-UHFFFAOYSA-N
XLogP0.79
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
4-(cyclohexylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943780
4-[[2-(cyclopropylmethoxy)benzoyl]amino]butanoic acid
CID 119170749
2-(cyclopropylmethoxy)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 86877169
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
4-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165490
5-[[[2-(cyclopropylmethoxy)benzoyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110752
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(4-methoxyanilino)benzamide;hydrochloride
CID 120945808
2-(cyclopropylmethoxy)-N-[3-(4-hydroxypiperidin-1-yl)propyl]benzamide
CID 111433871
2-(2-ethoxyphenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide;hydrochloride
CID 120948074
N-[(2-bromocyclopentyl)methyl]-2-ethoxybenzamide
CID 113275455

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120944904) is 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1ccccc1OCC1CC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is AEKLNDSVDOCFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14-9-17-7-12(14)8-18-16(20)13-3-1-2-4-15(13)21-10-11-5-6-11/h1-4,11-12,14,17,19H,5-10H2,(H,18,20).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 290.36 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120944904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).