N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide

C15H23N3O3 — CID 76977901

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide
SMILESCCN(CCC(N)=NO)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-4-18(9-8-14(16)17-20)15(19)12-6-5-7-13(10-12)21-11(2)3/h5-7,10-11,20H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyLCQLIEXJYKOATG-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.07
Rot. Bonds7

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide (PubChem CID 76977901) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide
PubChem CID76977901
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide
SMILESCCN(CCC(N)=NO)C(=O)c1cccc(OC(C)C)c1
InChIInChI=1S/C15H23N3O3/c1-4-18(9-8-14(16)17-20)15(19)12-6-5-7-13(10-12)21-11(2)3/h5-7,10-11,20H,4,8-9H2,1-3H3,(H2,16,17)
InChIKeyLCQLIEXJYKOATG-UHFFFAOYSA-N
XLogP2.07
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.07
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

N-(2-amino-2-hydroxyiminoethyl)-N-propan-2-yl-3-propan-2-yloxybenzamide
CID 77044882
N-(4-amino-4-hydroxyiminobutyl)-3-propan-2-yloxybenzamide
CID 76977754
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-3,4-dichloro-N-ethylbenzamide
CID 54992752
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-methoxy-4-methylbenzamide
CID 76910609
N-(3-amino-3-hydroxyiminopropyl)-3-iodo-N-(2-methylpropyl)benzamide
CID 76917368
N-[(3Z)-3-amino-3-hydroxyiminopropyl]-N-ethyl-4-iodobenzamide
CID 54993141
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 76977902
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-3-propoxybenzamide
CID 62921386
N-(2-chloroethyl)-3-(difluoromethoxy)-N-ethylbenzamide
CID 63395540
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 76936987
3-[ethyl-(4-propan-2-yloxybenzoyl)amino]propanoic acid
CID 61007975
N-ethyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-propylbenzamide
CID 43269064

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide (CID 76977901) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide is CCN(CCC(N)=NO)C(=O)c1cccc(OC(C)C)c1.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide?
The InChIKey is LCQLIEXJYKOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-18(9-8-14(16)17-20)15(19)12-6-5-7-13(10-12)21-11(2)3/h5-7,10-11,20H,4,8-9H2,1-3H3,(H2,16,17).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-3-propan-2-yloxybenzamide has a molecular weight of 293.37 g/mol, XLogP of 2.07, 7 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-propan-2-yloxybenzamide is sourced from PubChem (CID 76977901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).