N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide

C15H22ClN3O2 — CID 61431161

IUPACN-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1N)CC1CCCO1
InChIInChI=1S/C15H22ClN3O2/c1-19(10-12-3-2-8-21-12)7-6-15(20)18-14-5-4-11(16)9-13(14)17/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyBOPHEWDQSKCRQH-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.36
Rot. Bonds6

About N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide

N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide (PubChem CID 61431161) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
PubChem CID61431161
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
SMILESCN(CCC(=O)Nc1ccc(Cl)cc1N)CC1CCCO1
InChIInChI=1S/C15H22ClN3O2/c1-19(10-12-3-2-8-21-12)7-6-15(20)18-14-5-4-11(16)9-13(14)17/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyBOPHEWDQSKCRQH-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61430870
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(2-amino-4,6-dichlorophenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431452
N-(2,4-dimethoxyphenyl)-3-[methyl(oxan-2-ylmethyl)amino]propanamide
CID 91842038
N-(4-amino-2-methylphenyl)-2-[methyl(oxolan-2-ylmethyl)amino]acetamide
CID 61431738
N-(2-amino-4-chlorophenyl)-4-[cyclopropyl(methyl)amino]butanamide
CID 43264571
N-(2-bromo-4-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 81027186
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113117440

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide (CID 61431161) is N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide is CN(CCC(=O)Nc1ccc(Cl)cc1N)CC1CCCO1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
The InChIKey is BOPHEWDQSKCRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-19(10-12-3-2-8-21-12)7-6-15(20)18-14-5-4-11(16)9-13(14)17/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide is sourced from PubChem (CID 61431161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).