N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide

C15H22ClN3O2 — CID 102860273

IUPACN-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
SMILESNc1ccc(NC(=O)CCN(CCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O2/c16-13-10-11(17)4-5-14(13)18-15(21)6-7-19(8-9-20)12-2-1-3-12/h4-5,10,12,20H,1-3,6-9,17H2,(H,18,21)
InChIKeySZLJDOCDPFUOKX-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.10
Rot. Bonds7

About N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide

N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide (PubChem CID 102860273) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
PubChem CID102860273
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
SMILESNc1ccc(NC(=O)CCN(CCO)C2CCC2)c(Cl)c1
InChIInChI=1S/C15H22ClN3O2/c16-13-10-11(17)4-5-14(13)18-15(21)6-7-19(8-9-20)12-2-1-3-12/h4-5,10,12,20H,1-3,6-9,17H2,(H,18,21)
InChIKeySZLJDOCDPFUOKX-UHFFFAOYSA-N
XLogP2.10
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860467
N-(4-amino-2-chlorophenyl)-3-[cyclopentylmethyl(methyl)amino]propanamide
CID 63633289
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
N-(4-amino-2-chlorophenyl)-3-(2-hydroxyethylsulfanyl)propanamide
CID 43617467
N-(4-amino-2-chlorophenyl)-4-cyclobutyloxybutanamide
CID 62116153
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-amino-2-chlorophenyl)acetamide
CID 115559008
N-(4-amino-2-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81035190
N-(3-amino-4-chlorophenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102860261
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide (CID 102860273) is N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide is Nc1ccc(NC(=O)CCN(CCO)C2CCC2)c(Cl)c1.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is SZLJDOCDPFUOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-13-10-11(17)4-5-14(13)18-15(21)6-7-19(8-9-20)12-2-1-3-12/h4-5,10,12,20H,1-3,6-9,17H2,(H,18,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 102860273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).