N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide

C14H21N3O3 — CID 76910609

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide
SMILESCCN(CCC(N)=NO)C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-4-17(8-7-13(15)16-19)14(18)11-6-5-10(2)12(9-11)20-3/h5-6,9,19H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyDGTPSDIKLKPJLE-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.60
Rot. Bonds6

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide (PubChem CID 76910609) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide
PubChem CID76910609
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide
SMILESCCN(CCC(N)=NO)C(=O)c1ccc(C)c(OC)c1
InChIInChI=1S/C14H21N3O3/c1-4-17(8-7-13(15)16-19)14(18)11-6-5-10(2)12(9-11)20-3/h5-6,9,19H,4,7-8H2,1-3H3,(H2,15,16)
InChIKeyDGTPSDIKLKPJLE-UHFFFAOYSA-N
XLogP1.60
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,4-dichloro-N-ethylbenzamide
CID 54992752
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-4-iodobenzamide
CID 54993141
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81124193
methyl 3-[(3,4-dimethylbenzoyl)-ethylamino]propanoate
CID 54898933
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-2-fluoro-4-methoxybenzamide
CID 102884787
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide
CID 76977901
N-(3-aminopropyl)-N-ethyl-3,4-dimethoxybenzamide
CID 43319202
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide (CID 76910609) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide is CCN(CCC(N)=NO)C(=O)c1ccc(C)c(OC)c1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide?
The InChIKey is DGTPSDIKLKPJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-17(8-7-13(15)16-19)14(18)11-6-5-10(2)12(9-11)20-3/h5-6,9,19H,4,7-8H2,1-3H3,(H2,15,16).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 76910609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).