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

C19H24N2O2 — CID 119712227

IUPAC3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
SMILESCc1cccc(COc2ccc(CNC(=O)CC(C)N)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-4-3-5-17(10-14)13-23-18-8-6-16(7-9-18)12-21-19(22)11-15(2)20/h3-10,15H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyBOORQHYLHZCKIT-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.93
Rot. Bonds7

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

3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide (PubChem CID 119712227) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
PubChem CID119712227
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
SMILESCc1cccc(COc2ccc(CNC(=O)CC(C)N)cc2)c1
InChIInChI=1S/C19H24N2O2/c1-14-4-3-5-17(10-14)13-23-18-8-6-16(7-9-18)12-21-19(22)11-15(2)20/h3-10,15H,11-13,20H2,1-2H3,(H,21,22)
InChIKeyBOORQHYLHZCKIT-UHFFFAOYSA-N
XLogP2.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
CID 119773812
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
N-[1-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 42959799
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
N-[2-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]-2-oxoethyl]furan-3-carboxamide
CID 46461803
(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
3-amino-N-[(3-methoxyphenyl)methyl]butanamide;hydrochloride
CID 119678228
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
CID 163564541
ethyl 3-[[4-[(3-methylphenyl)methoxy]phenyl]methylamino]propanoate
CID 118176686
4-amino-N-[2-methyl-4-[(3-methylphenyl)methoxy]phenyl]pentanamide;hydrochloride
CID 120562273
4-amino-3-methoxy-N-[(4-phenylmethoxyphenyl)methyl]butanamide
CID 120588235
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide (CID 119712227) is 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide is Cc1cccc(COc2ccc(CNC(=O)CC(C)N)cc2)c1.
What is the InChIKey of 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide?
The InChIKey is BOORQHYLHZCKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-4-3-5-17(10-14)13-23-18-8-6-16(7-9-18)12-21-19(22)11-15(2)20/h3-10,15H,11-13,20H2,1-2H3,(H,21,22).
What are the key properties of 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide?
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide has a molecular weight of 312.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide is sourced from PubChem (CID 119712227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).