2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide

C14H21N3O3 — CID 106262399

IUPAC2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccccc1OC)/C(N)=N/O
InChIInChI=1S/C14H21N3O3/c1-3-11(13(15)17-19)14(18)16-9-8-10-6-4-5-7-12(10)20-2/h4-7,11,19H,3,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWSBJROYHQNLKFY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.13
Rot. Bonds7

About 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide

2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide (PubChem CID 106262399) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
PubChem CID106262399
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccccc1OC)/C(N)=N/O
InChIInChI=1S/C14H21N3O3/c1-3-11(13(15)17-19)14(18)16-9-8-10-6-4-5-7-12(10)20-2/h4-7,11,19H,3,8-9H2,1-2H3,(H2,15,17)(H,16,18)
InChIKeyWSBJROYHQNLKFY-UHFFFAOYSA-N
XLogP1.13
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.13
H-Bond Donors ≤ 53
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'}

Analyze 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[2-(2-methoxyphenyl)ethyl]butanamide
CID 106260338
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-amino-N-[2-(2-methoxyphenyl)ethyl]pentanamide
CID 113228128
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 106262398
N-[2-(4-chlorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925228
2-(N'-hydroxycarbamimidoyl)-N-[2-(3-methylphenyl)ethyl]butanamide
CID 76939266
N-[2-(2-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119687194
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113219093
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
N'-butan-2-yl-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108983990
N-[2-(3-fluorophenyl)ethyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76925067
5-amino-N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 106260751

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The IUPAC name of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide (CID 106262399) is 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide is CCC(C(=O)NCCc1ccccc1OC)/C(N)=N/O.
What is the InChIKey of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide?
The InChIKey is WSBJROYHQNLKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-11(13(15)17-19)14(18)16-9-8-10-6-4-5-7-12(10)20-2/h4-7,11,19H,3,8-9H2,1-2H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide?
2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide has a molecular weight of 279.34 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(2-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 106262399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).