N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide

C22H34N2O3 — CID 42862421

IUPACN-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCCC(O)CN1CCOC(CN(C(=O)c2ccc(C)cc2)C2CCCC2)C1
InChIInChI=1S/C22H34N2O3/c1-3-20(25)14-23-12-13-27-21(15-23)16-24(19-6-4-5-7-19)22(26)18-10-8-17(2)9-11-18/h8-11,19-21,25H,3-7,12-16H2,1-2H3
InChIKeyUBJYVINAXDKZQH-UHFFFAOYSA-N
MW374.53 g/mol
LogP2.85
Rot. Bonds7

About N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide

N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide (PubChem CID 42862421) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
PubChem CID42862421
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC NameN-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide
SMILESCCC(O)CN1CCOC(CN(C(=O)c2ccc(C)cc2)C2CCCC2)C1
InChIInChI=1S/C22H34N2O3/c1-3-20(25)14-23-12-13-27-21(15-23)16-24(19-6-4-5-7-19)22(26)18-10-8-17(2)9-11-18/h8-11,19-21,25H,3-7,12-16H2,1-2H3
InChIKeyUBJYVINAXDKZQH-UHFFFAOYSA-N
XLogP2.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-N-[[4-(2-hydroxy-3-phenylmethoxypropyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862417
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989858
N-cyclopentyl-N-[[(2S)-4-[(3-methoxyphenyl)methyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 92989898
N-(cyclopropylmethyl)-N-[[(2S)-4-[(2S)-2-hydroxy-3-phenylpropyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 98634563
N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-N-(3-methylbutyl)benzamide
CID 42859648
N-cyclopentyl-4-fluoro-N-[[(2S)-4-[(2-hydroxyphenyl)methyl]morpholin-2-yl]methyl]benzamide
CID 92989874
N-[[(2S)-4-[(2R)-2-hydroxybutyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 92989417
N-cyclopentyl-4-fluoro-N-[[4-[[4-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methyl]benzamide
CID 42862529
N-cyclopentyl-N-[[4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]-4-fluorobenzamide
CID 42862531
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 46060301
N-(cyclopropylmethyl)-N-[[4-(2-hydroxy-2-phenylethyl)morpholin-2-yl]methyl]-4-methylbenzamide
CID 42862392
N-[[4-(2-hydroxy-3-propan-2-yloxypropyl)morpholin-2-yl]methyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 46060172

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide (CID 42862421) is N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide is CCC(O)CN1CCOC(CN(C(=O)c2ccc(C)cc2)C2CCCC2)C1.
What is the InChIKey of N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide?
The InChIKey is UBJYVINAXDKZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-20(25)14-23-12-13-27-21(15-23)16-24(19-6-4-5-7-19)22(26)18-10-8-17(2)9-11-18/h8-11,19-21,25H,3-7,12-16H2,1-2H3.
What are the key properties of N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide?
N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide has a molecular weight of 374.53 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[[4-(2-hydroxybutyl)morpholin-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 42862421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).