(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

C25H34N2O3 — CID 100654897

IUPAC(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C25H34N2O3/c1-17(2)22-13-9-10-14-23(22)30-16-24(28)27(20(6)25(29)26-18(3)4)15-21-12-8-7-11-19(21)5/h7-14,17-18,20H,15-16H2,1-6H3,(H,26,29)/t20-/m0/s1
InChIKeyAMVPAUZSMQQMKZ-FQEVSTJZSA-N
MW410.56 g/mol
LogP4.44
Rot. Bonds9

About (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide

(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (PubChem CID 100654897) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
PubChem CID100654897
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
SMILESCc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@@H](C)C(=O)NC(C)C
InChIInChI=1S/C25H34N2O3/c1-17(2)22-13-9-10-14-23(22)30-16-24(28)27(20(6)25(29)26-18(3)4)15-21-12-8-7-11-19(21)5/h7-14,17-18,20H,15-16H2,1-6H3,(H,26,29)/t20-/m0/s1
InChIKeyAMVPAUZSMQQMKZ-FQEVSTJZSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100654908
2-[(2-methylphenyl)methyl-[2-(2,3,5-trimethylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132663822
(2R)-N-[(2R)-butan-2-yl]-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]butanamide
CID 100666115
(2R)-2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100653036
(2R)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100647925
(2R)-2-[[2-(2-methylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylbutanamide
CID 100734100
(2S)-2-[[2-(2-methylphenyl)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100655267
(2S)-2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568188
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132680320
2-[(2,6-dichlorophenyl)methyl-[2-(2-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132671264
N-methyl-2-[(4-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132657455
2-[[2-(2-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-(2-methylpropyl)propanamide
CID 132707462

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide (CID 100654897) is (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is Cc1ccccc1CN(C(=O)COc1ccccc1C(C)C)[C@@H](C)C(=O)NC(C)C.
What is the InChIKey of (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is AMVPAUZSMQQMKZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-17(2)22-13-9-10-14-23(22)30-16-24(28)27(20(6)25(29)26-18(3)4)15-21-12-8-7-11-19(21)5/h7-14,17-18,20H,15-16H2,1-6H3,(H,26,29)/t20-/m0/s1.
What are the key properties of (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide?
(2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 410.56 g/mol, XLogP of 4.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 100654897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).