(2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide

C24H32N2O3 — CID 100550049

IUPAC(2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C
InChIInChI=1S/C24H32N2O3/c1-5-14-25-24(28)21(6-2)26(16-20-12-9-10-18(3)15-20)23(27)17-29-22-13-8-7-11-19(22)4/h7-13,15,21H,5-6,14,16-17H2,1-4H3,(H,25,28)/t21-/m0/s1
InChIKeyFIGXNWYYVWGYNN-NRFANRHFSA-N
MW396.53 g/mol
LogP4.02
Rot. Bonds10

About (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide

(2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide (PubChem CID 100550049) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
PubChem CID100550049
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC Name(2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
SMILESCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C
InChIInChI=1S/C24H32N2O3/c1-5-14-25-24(28)21(6-2)26(16-20-12-9-10-18(3)15-20)23(27)17-29-22-13-8-7-11-19(22)4/h7-13,15,21H,5-6,14,16-17H2,1-4H3,(H,25,28)/t21-/m0/s1
InChIKeyFIGXNWYYVWGYNN-NRFANRHFSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2,5-dimethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100555167
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100666925
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100543275
N-butyl-2-[(3-methylphenyl)methyl-(2-naphthalen-1-yloxyacetyl)amino]butanamide
CID 132715907
2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132710381
2-[[2-(4-ethylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132663730
(2R)-2-[[2-(2,4-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549736
N-ethyl-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]propanamide
CID 132655254
2-[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide
CID 132680313
(2S)-2-[[2-(2,3-dimethylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propylbutanamide
CID 100549725
(2S)-2-[[2-(2-chlorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propylbutanamide
CID 100609521
N-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]butanamide
CID 132721153

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
The IUPAC name of (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide (CID 100550049) is (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide.
What is the SMILES notation for (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
The canonical SMILES for (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide is CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C.
What is the InChIKey of (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
The InChIKey is FIGXNWYYVWGYNN-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-14-25-24(28)21(6-2)26(16-20-12-9-10-18(3)15-20)23(27)17-29-22-13-8-7-11-19(22)4/h7-13,15,21H,5-6,14,16-17H2,1-4H3,(H,25,28)/t21-/m0/s1.
What are the key properties of (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide?
(2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide has a molecular weight of 396.53 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(2-methylphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-propylbutanamide is sourced from PubChem (CID 100550049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).