3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide

C21H28N2O2 — CID 119771338

IUPAC3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
SMILESCc1ccc(COc2ccc(CC(C)NC(=O)CC(C)N)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-15-4-6-19(7-5-15)14-25-20-10-8-18(9-11-20)13-17(3)23-21(24)12-16(2)22/h4-11,16-17H,12-14,22H2,1-3H3,(H,23,24)
InChIKeyWIAKDYWEKZSABV-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.36
Rot. Bonds8

About 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide

3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide (PubChem CID 119771338) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
PubChem CID119771338
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide
SMILESCc1ccc(COc2ccc(CC(C)NC(=O)CC(C)N)cc2)cc1
InChIInChI=1S/C21H28N2O2/c1-15-4-6-19(7-5-15)14-25-20-10-8-18(9-11-20)13-17(3)23-21(24)12-16(2)22/h4-11,16-17H,12-14,22H2,1-3H3,(H,23,24)
InChIKeyWIAKDYWEKZSABV-UHFFFAOYSA-N
XLogP3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]acetamide;hydrochloride
CID 119316433
2-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-2-(oxan-4-yl)acetamide
CID 120791880
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 123862391
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
3-amino-N-[1-[4-[(3-methylphenyl)methoxy]phenyl]ethyl]butanamide
CID 119773812
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227
1-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 60906849
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
4-chloro-N-[1-(4-methylphenyl)propan-2-yl]butanamide
CID 82109331
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-(4-methylphenyl)acetamide
CID 92680005
1-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]-3-(2-phenyl-1H-indol-3-yl)urea
CID 155968206

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide?
The IUPAC name of 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide (CID 119771338) is 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide.
What is the SMILES notation for 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide?
The canonical SMILES for 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide is Cc1ccc(COc2ccc(CC(C)NC(=O)CC(C)N)cc2)cc1.
What is the InChIKey of 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide?
The InChIKey is WIAKDYWEKZSABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-4-6-19(7-5-15)14-25-20-10-8-18(9-11-20)13-17(3)23-21(24)12-16(2)22/h4-11,16-17H,12-14,22H2,1-3H3,(H,23,24).
What are the key properties of 3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide?
3-amino-N-[1-[4-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide has a molecular weight of 340.47 g/mol, XLogP of 3.36, 8 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-[(4-methylphenyl)methoxy]phenyl]propan-2-yl]butanamide is sourced from PubChem (CID 119771338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).