N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide

C15H22ClN3O2 — CID 102860467

IUPACN-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCN(CCO)C1CCC1
InChIInChI=1S/C15H22ClN3O2/c16-11-4-5-13(17)14(10-11)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)
InChIKeyINDPKTTXUVONID-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.10
Rot. Bonds7

About N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide

N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide (PubChem CID 102860467) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
PubChem CID102860467
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
SMILESNc1ccc(Cl)cc1NC(=O)CCN(CCO)C1CCC1
InChIInChI=1S/C15H22ClN3O2/c16-11-4-5-13(17)14(10-11)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)
InChIKeyINDPKTTXUVONID-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-(4-amino-2-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide
CID 102860273
N-(2-amino-5-chlorophenyl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 54879333
N-(2-amino-5-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884054
N-(2-amino-5-chlorophenyl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 61243364
N-(2-amino-5-chlorophenyl)-3-cyclopentyloxypropanamide
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N-(2-amino-5-chlorophenyl)-2-cycloheptylacetamide
CID 114457006
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78897433
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(2,5-dichlorophenyl)acetamide
CID 102848440
N-(2-amino-5-chlorophenyl)-4-[methyl(thiolan-3-yl)amino]butanamide
CID 43296286
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
N-(2-amino-5-chlorophenyl)-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
CID 81036999
N-(2-amino-5-chlorophenyl)-4-cyclopentylsulfinylbutanamide
CID 63115237

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
The IUPAC name of N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide (CID 102860467) is N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
The canonical SMILES for N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide is Nc1ccc(Cl)cc1NC(=O)CCN(CCO)C1CCC1.
What is the InChIKey of N-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
The InChIKey is INDPKTTXUVONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c16-11-4-5-13(17)14(10-11)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-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide?
N-(2-amino-5-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-(2-amino-5-chlorophenyl)-3-[cyclobutyl(2-hydroxyethyl)amino]propanamide is sourced from PubChem (CID 102860467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).