N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide

C27H30N2O2 — CID 46045963

IUPACN-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-20(2)17-27(31)29(19-23-10-8-7-9-21(23)3)25-15-13-22(14-16-25)18-26(30)28-24-11-5-4-6-12-24/h4-16,20H,17-19H2,1-3H3,(H,28,30)
InChIKeySUNDLWMLSJEVJA-UHFFFAOYSA-N
MW414.55 g/mol
LogP5.76
Rot. Bonds8

About N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide

N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide (PubChem CID 46045963) has the molecular formula C27H30N2O2 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
PubChem CID46045963
Molecular FormulaC27H30N2O2
Molecular Weight414.55 g/mol
Exact Mass414.23
IUPAC NameN-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide
SMILESCc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C27H30N2O2/c1-20(2)17-27(31)29(19-23-10-8-7-9-21(23)3)25-15-13-22(14-16-25)18-26(30)28-24-11-5-4-6-12-24/h4-16,20H,17-19H2,1-3H3,(H,28,30)
InChIKeySUNDLWMLSJEVJA-UHFFFAOYSA-N
XLogP5.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.55
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(3-methylanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 46046309
N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 42852782
2-methyl-3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 120540582
(2S)-2-[methyl-[(2-methylphenyl)methyl]amino]-N-phenylpropanamide
CID 8516653
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 46045961
4-[[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]acetyl]-(2-methylpropyl)amino]benzoic acid
CID 10164775
N-[(2-methylphenyl)methyl]-N-[4-[2-oxo-2-(prop-2-enylamino)ethyl]phenyl]thiophene-2-carboxamide
CID 46046577
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
(2S)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568207
(2R)-N-methyl-2-[(2-methylphenyl)methyl-(2-phenylacetyl)amino]propanamide
CID 100568199
3-[4-[[2-(2-methylphenyl)acetyl]amino]phenyl]propanoic acid
CID 75482470

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The IUPAC name of N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide (CID 46045963) is N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide is Cc1ccccc1CN(C(=O)CC(C)C)c1ccc(CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
The InChIKey is SUNDLWMLSJEVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O2/c1-20(2)17-27(31)29(19-23-10-8-7-9-21(23)3)25-15-13-22(14-16-25)18-26(30)28-24-11-5-4-6-12-24/h4-16,20H,17-19H2,1-3H3,(H,28,30).
What are the key properties of N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide?
N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide has a molecular weight of 414.55 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-2-oxoethyl)phenyl]-3-methyl-N-[(2-methylphenyl)methyl]butanamide is sourced from PubChem (CID 46045963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).