3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide

C20H26N2O2 — CID 119773812

IUPAC3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
SMILESCc1cccc(COc2ccc(C(C)NC(=O)CC(C)N)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-14-5-4-6-17(11-14)13-24-19-9-7-18(8-10-19)16(3)22-20(23)12-15(2)21/h4-11,15-16H,12-13,21H2,1-3H3,(H,22,23)
InChIKeyARHKEZMXPNCRBH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.49
Rot. Bonds7

About 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide

3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide (PubChem CID 119773812) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
PubChem CID119773812
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
SMILESCc1cccc(COc2ccc(C(C)NC(=O)CC(C)N)cc2)c1
InChIInChI=1S/C20H26N2O2/c1-14-5-4-6-17(11-14)13-24-19-9-7-18(8-10-19)16(3)22-20(23)12-15(2)21/h4-11,15-16H,12-13,21H2,1-3H3,(H,22,23)
InChIKeyARHKEZMXPNCRBH-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
3-[methyl-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]amino]propanoic acid
CID 122000527
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119773817
1-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000526
3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
CID 119771338
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
3-amino-N-[1-(3-hydroxyphenyl)ethyl]butanamide
CID 60837485
[1-hydroxy-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-2-yl]azanium chloride
CID 110184490
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide (CID 119773812) is 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide is Cc1cccc(COc2ccc(C(C)NC(=O)CC(C)N)cc2)c1.
What is the InChIKey of 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide?
The InChIKey is ARHKEZMXPNCRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-5-4-6-17(11-14)13-24-19-9-7-18(8-10-19)16(3)22-20(23)12-15(2)21/h4-11,15-16H,12-13,21H2,1-3H3,(H,22,23).
What are the key properties of 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide?
3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide has a molecular weight of 326.44 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide is sourced from PubChem (CID 119773812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).