N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide

C14H20ClN3O3 — CID 81195028

IUPACN-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCN1CCOC(CO)C1
InChIInChI=1S/C14H20ClN3O3/c15-10-1-2-13(12(16)7-10)17-14(20)3-4-18-5-6-21-11(8-18)9-19/h1-2,7,11,19H,3-6,8-9,16H2,(H,17,20)
InChIKeyVAOUVVDNOBWUER-UHFFFAOYSA-N
MW313.78 g/mol
LogP0.94
Rot. Bonds5

About N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide

N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide (PubChem CID 81195028) has the molecular formula C14H20ClN3O3 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
PubChem CID81195028
Molecular FormulaC14H20ClN3O3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC NameN-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide
SMILESNc1cc(Cl)ccc1NC(=O)CCN1CCOC(CO)C1
InChIInChI=1S/C14H20ClN3O3/c15-10-1-2-13(12(16)7-10)17-14(20)3-4-18-5-6-21-11(8-18)9-19/h1-2,7,11,19H,3-6,8-9,16H2,(H,17,20)
InChIKeyVAOUVVDNOBWUER-UHFFFAOYSA-N
XLogP0.94
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-chlorophenyl)-3-(2-cyanomorpholin-4-yl)propanamide
CID 79663166
N-(2-amino-4-chlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)propanamide
CID 16779484
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-methylphenyl)acetamide
CID 114395086
2-[2-(aminomethyl)morpholin-4-yl]-N-(4-chloro-2-fluorophenyl)acetamide
CID 114394862
N-(5-amino-2-fluorophenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81206082
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
N-(2-amino-4-chlorophenyl)-4-(4-methylpiperazin-1-yl)butanamide
CID 16779496
N-(2,4-dimethylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833810
N-(2-amino-4-chlorophenyl)-3-(3-methyl-2-oxoimidazolidin-1-yl)propanamide
CID 62490811
N-(2-amino-4-chlorophenyl)-3-[methyl(oxolan-2-ylmethyl)amino]propanamide
CID 61431161
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide (CID 81195028) is N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide is Nc1cc(Cl)ccc1NC(=O)CCN1CCOC(CO)C1.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
The InChIKey is VAOUVVDNOBWUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O3/c15-10-1-2-13(12(16)7-10)17-14(20)3-4-18-5-6-21-11(8-18)9-19/h1-2,7,11,19H,3-6,8-9,16H2,(H,17,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide?
N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide has a molecular weight of 313.78 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propanamide is sourced from PubChem (CID 81195028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).