N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide

C14H18ClN3O2 — CID 76911867

IUPACN-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
SMILESNC(CCN(C(=O)Cc1ccc(Cl)cc1)C1CC1)=NO
InChIInChI=1S/C14H18ClN3O2/c15-11-3-1-10(2-4-11)9-14(19)18(12-5-6-12)8-7-13(16)17-20/h1-4,12,20H,5-9H2,(H2,16,17)
InChIKeyQREKXBLTVYVLPO-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.01
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide

N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide (PubChem CID 76911867) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
PubChem CID76911867
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide
SMILESNC(CCN(C(=O)Cc1ccc(Cl)cc1)C1CC1)=NO
InChIInChI=1S/C14H18ClN3O2/c15-11-3-1-10(2-4-11)9-14(19)18(12-5-6-12)8-7-13(16)17-20/h1-4,12,20H,5-9H2,(H2,16,17)
InChIKeyQREKXBLTVYVLPO-UHFFFAOYSA-N
XLogP2.01
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
N-(2-chloroethyl)-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 63391287
2-(4-chlorophenyl)-N-cyclobutyl-N-(3-hydroxypropyl)acetamide
CID 102866603
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2,3,4-trifluorobenzamide
CID 79755748
N-(2-amino-2-oxoethyl)-2-(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 60801057
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylbutanamide
CID 76911754
1-(3-amino-3-hydroxyiminopropyl)-1-cyclopropyl-3-(3,4-dichlorophenyl)urea
CID 76911712
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-ethoxyacetamide
CID 76911812
N-[(3E)-3-amino-3-hydroxyiminopropyl]-N-cyclopropylpyridine-4-carboxamide
CID 54997157
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-2-fluoro-5-methylbenzamide
CID 76945662
methyl 3-[[2-(4-chlorophenyl)acetyl]-[(3R)-1,1-dioxothiolan-3-yl]amino]propanoate
CID 39884789
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 79121866

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide (CID 76911867) is N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide is NC(CCN(C(=O)Cc1ccc(Cl)cc1)C1CC1)=NO.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide?
The InChIKey is QREKXBLTVYVLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c15-11-3-1-10(2-4-11)9-14(19)18(12-5-6-12)8-7-13(16)17-20/h1-4,12,20H,5-9H2,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide?
N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide has a molecular weight of 295.77 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-2-(4-chlorophenyl)-N-cyclopropylacetamide is sourced from PubChem (CID 76911867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).