4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide

C18H21ClN2O2 — CID 119333075

IUPAC4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c19-16-8-3-4-9-17(16)23-13-15-7-2-1-6-14(15)12-21-18(22)10-5-11-20/h1-4,6-9H,5,10-13,20H2,(H,21,22)
InChIKeyRUARKQJXZZISRL-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.27
Rot. Bonds8

About 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide

4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide (PubChem CID 119333075) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
PubChem CID119333075
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
SMILESNCCCC(=O)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O2/c19-16-8-3-4-9-17(16)23-13-15-7-2-1-6-14(15)12-21-18(22)10-5-11-20/h1-4,6-9H,5,10-13,20H2,(H,21,22)
InChIKeyRUARKQJXZZISRL-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
CID 119333060
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119800229
7-amino-N-[[2-(methoxymethyl)phenyl]methyl]heptanamide
CID 60924992
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
CID 119333070
4-amino-N-[[2-(2-methylphenoxy)phenyl]methyl]butanamide
CID 119320252
2-[2-[(2-chlorophenoxy)methyl]phenyl]acetic acid
CID 22366404
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
N-[[2-[2-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl]phenyl]methyl]prop-2-enamide
CID 166421835
4-(2-chlorophenoxy)-N-[[2-[(2-cyanoacetyl)amino]phenyl]methyl]butanamide
CID 108923588

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide (CID 119333075) is 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide is NCCCC(=O)NCc1ccccc1COc1ccccc1Cl.
What is the InChIKey of 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide?
The InChIKey is RUARKQJXZZISRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c19-16-8-3-4-9-17(16)23-13-15-7-2-1-6-14(15)12-21-18(22)10-5-11-20/h1-4,6-9H,5,10-13,20H2,(H,21,22).
What are the key properties of 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide?
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide has a molecular weight of 332.83 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide is sourced from PubChem (CID 119333075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).