N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide

C17H25ClN2O2 — CID 119688888

IUPACN-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CNCCO1
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-10-20(13-14-5-7-15(18)8-6-14)17(21)16-12-19-9-11-22-16/h5-8,16,19H,2-4,9-13H2,1H3
InChIKeyHLQGTTHKXKJRJG-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.85
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide

N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide (PubChem CID 119688888) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
PubChem CID119688888
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC NameN-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide
SMILESCCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CNCCO1
InChIInChI=1S/C17H25ClN2O2/c1-2-3-4-10-20(13-14-5-7-15(18)8-6-14)17(21)16-12-19-9-11-22-16/h5-8,16,19H,2-4,9-13H2,1H3
InChIKeyHLQGTTHKXKJRJG-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-pentylpyrrolidine-3-carboxamide
CID 119688890
N-butyl-N-ethylmorpholine-2-carboxamide;hydrochloride
CID 119676463
N-benzyl-N-[2-(4-methoxyphenyl)ethyl]morpholine-2-carboxamide
CID 119770882
N-(4-chlorophenyl)-N-methylmorpholine-2-carboxamide
CID 115177410
N-butyl-N-(2,2,2-trifluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119733473
N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)morpholine-2-carboxamide
CID 119875113
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-benzyl-N-(2,2-difluoroethyl)morpholine-2-carboxamide;hydrochloride
CID 119807977
N-(2-methoxyethyl)-N-(3-phenylpropyl)morpholine-2-carboxamide
CID 119756078
2-[(4-chlorophenyl)methyl-[(2S)-1,4-dioxane-2-carbonyl]amino]acetic acid
CID 129466920
N-(2-methylpropyl)-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)morpholine-2-carboxamide;hydrochloride
CID 68673290
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide (CID 119688888) is N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide is CCCCCN(Cc1ccc(Cl)cc1)C(=O)C1CNCCO1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide?
The InChIKey is HLQGTTHKXKJRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-2-3-4-10-20(13-14-5-7-15(18)8-6-14)17(21)16-12-19-9-11-22-16/h5-8,16,19H,2-4,9-13H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide has a molecular weight of 324.85 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-pentylmorpholine-2-carboxamide is sourced from PubChem (CID 119688888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).