(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide

C19H23NO2 — CID 163564541

IUPAC(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
SMILESCc1cccc(COc2ccc(CC[C@@H](C)C(N)=O)cc2)c1
InChIInChI=1S/C19H23NO2/c1-14-4-3-5-17(12-14)13-22-18-10-8-16(9-11-18)7-6-15(2)19(20)21/h3-5,8-12,15H,6-7,13H2,1-2H3,(H2,20,21)/t15-/m1/s1
InChIKeyINHOBLITVRRKOM-OAHLLOKOSA-N
MW297.40 g/mol
LogP3.63
Rot. Bonds7

About (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide

(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide (PubChem CID 163564541) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
PubChem CID163564541
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide
SMILESCc1cccc(COc2ccc(CC[C@@H](C)C(N)=O)cc2)c1
InChIInChI=1S/C19H23NO2/c1-14-4-3-5-17(12-14)13-22-18-10-8-16(9-11-18)7-6-15(2)19(20)21/h3-5,8-12,15H,6-7,13H2,1-2H3,(H2,20,21)/t15-/m1/s1
InChIKeyINHOBLITVRRKOM-OAHLLOKOSA-N
XLogP3.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]propanamide
CID 119317869
2-chloro-1-[4-[(3-methylphenyl)methoxy]phenyl]propan-1-one
CID 82051803
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
4-[4-(aminomethyl)phenyl]-2-methylbutanamide
CID 175316753
4-[4-[(3-chlorophenyl)methoxy]phenyl]butan-2-amine
CID 15059553
2-methyl-4-(3-methylphenyl)butanoic acid
CID 79002257
N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(2S)-2-methyl-4-phenylbutanamide;molecular hydrogen
CID 143947472
1-[4-[(3-methylphenyl)methoxy]phenyl]-2-propan-2-ylsulfanylethanone
CID 82051791
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide?
The IUPAC name of (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide (CID 163564541) is (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide.
What is the SMILES notation for (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide?
The canonical SMILES for (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide is Cc1cccc(COc2ccc(CC[C@@H](C)C(N)=O)cc2)c1.
What is the InChIKey of (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide?
The InChIKey is INHOBLITVRRKOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14-4-3-5-17(12-14)13-22-18-10-8-16(9-11-18)7-6-15(2)19(20)21/h3-5,8-12,15H,6-7,13H2,1-2H3,(H2,20,21)/t15-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide?
(2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide has a molecular weight of 297.40 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-[4-[(3-methylphenyl)methoxy]phenyl]butanamide is sourced from PubChem (CID 163564541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).