N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide

C14H21ClN2O2 — CID 119807214

IUPACN-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(OC)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-16-8-4-7-14(18)17-10-13(19-2)11-5-3-6-12(15)9-11/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyXIXAKFXVWCUXRE-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.14
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide

N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide (PubChem CID 119807214) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
PubChem CID119807214
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCC(OC)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O2/c1-16-8-4-7-14(18)17-10-13(19-2)11-5-3-6-12(15)9-11/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,18)
InChIKeyXIXAKFXVWCUXRE-UHFFFAOYSA-N
XLogP2.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)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-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(methylamino)butanamide
CID 81372625
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 96517723
N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-4-(methylamino)butanamide
CID 119792581
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-[[1-(methylamino)cyclobutyl]methyl]urea
CID 138047573
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
CID 96568608
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111508956
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636634
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide (CID 119807214) is N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCC(OC)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide?
The InChIKey is XIXAKFXVWCUXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-16-8-4-7-14(18)17-10-13(19-2)11-5-3-6-12(15)9-11/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide?
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide has a molecular weight of 284.79 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119807214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).