2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide

C19H23ClN2O2 — CID 119333070

IUPAC2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-2-7-17(21)19(23)22-12-14-8-3-4-9-15(14)13-24-18-11-6-5-10-16(18)20/h3-6,8-11,17H,2,7,12-13,21H2,1H3,(H,22,23)
InChIKeyHUONZCXTLWDGOW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.66
Rot. Bonds8

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

2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide (PubChem CID 119333070) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
PubChem CID119333070
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1ccccc1COc1ccccc1Cl
InChIInChI=1S/C19H23ClN2O2/c1-2-7-17(21)19(23)22-12-14-8-3-4-9-15(14)13-24-18-11-6-5-10-16(18)20/h3-6,8-11,17H,2,7,12-13,21H2,1H3,(H,22,23)
InChIKeyHUONZCXTLWDGOW-UHFFFAOYSA-N
XLogP3.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[[2-(ethoxymethyl)phenyl]methyl]pentanamide
CID 93359004
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-2-methylpropanamide
CID 119333060
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pentanamide
CID 103292496
4-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]butanamide
CID 119333075
(2R)-2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pentanamide
CID 103813347
2-amino-N-[(2-cyclobutyloxyphenyl)methyl]pentanamide
CID 119330646
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
2-amino-N-[(2-ethylphenyl)methyl]hexanamide
CID 64682652
1-(2-aminohexanoylamino)-3-[(2-chlorophenyl)methyl]urea
CID 11426966
(2R)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpentanamide
CID 93368335
2-amino-N-benzylpentanamide
CID 11020044

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide?
The IUPAC name of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide (CID 119333070) is 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide?
The canonical SMILES for 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide is CCCC(N)C(=O)NCc1ccccc1COc1ccccc1Cl.
What is the InChIKey of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide?
The InChIKey is HUONZCXTLWDGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-2-7-17(21)19(23)22-12-14-8-3-4-9-15(14)13-24-18-11-6-5-10-16(18)20/h3-6,8-11,17H,2,7,12-13,21H2,1H3,(H,22,23).
What are the key properties of 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide?
2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide has a molecular weight of 346.86 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]pentanamide is sourced from PubChem (CID 119333070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).