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

C16H24N2O3 — CID 120948701

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C16H24N2O3/c1-11(2)10-21-14-5-3-4-12(6-14)16(20)18-8-13-7-17-9-15(13)19/h3-6,11,13,15,17,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyRGBYIGDGDZTOII-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.03
Rot. Bonds6

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide (PubChem CID 120948701) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
PubChem CID120948701
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide
SMILESCC(C)COc1cccc(C(=O)NCC2CNCC2O)c1
InChIInChI=1S/C16H24N2O3/c1-11(2)10-21-14-5-3-4-12(6-14)16(20)18-8-13-7-17-9-15(13)19/h3-6,11,13,15,17,19H,7-10H2,1-2H3,(H,18,20)
InChIKeyRGBYIGDGDZTOII-UHFFFAOYSA-N
XLogP1.03
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120945188
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 120946250
N-[(3-hydroxycyclobutyl)methyl]-3-(2-methylpropoxy)benzamide
CID 66007075
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(thiophen-2-ylmethoxy)benzamide
CID 120948505
trans-(1S,2R)-2-[[[3-(2-methylpropoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108732264
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
3-[(3-fluorophenoxy)methyl]-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120943608
N-[(2S)-2-hydroxypropyl]-3-(2-methylpropoxy)benzamide
CID 83030958
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3,5-dimethoxybenzamide
CID 120946857
N-(3-hydroxy-2-methylpropyl)-3-(2-methylpropoxy)benzamide
CID 65037333
N-(4-hydroxybutyl)-3-(2-methylpropoxy)benzamide
CID 106842963
2-hydroxy-3-[[3-(2-methylpropoxy)benzoyl]amino]propanoic acid
CID 66168078

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide (CID 120948701) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide is CC(C)COc1cccc(C(=O)NCC2CNCC2O)c1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide?
The InChIKey is RGBYIGDGDZTOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)10-21-14-5-3-4-12(6-14)16(20)18-8-13-7-17-9-15(13)19/h3-6,11,13,15,17,19H,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide has a molecular weight of 292.38 g/mol, XLogP of 1.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 120948701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).