N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide

C23H31N3O2 — CID 131928295

IUPACN-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide
SMILESCc1cccc(C(C(=O)Nc2cccc(NC(=O)CC(C)C)c2C)N(C)C)c1
InChIInChI=1S/C23H31N3O2/c1-15(2)13-21(27)24-19-11-8-12-20(17(19)4)25-23(28)22(26(5)6)18-10-7-9-16(3)14-18/h7-12,14-15,22H,13H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyCFODYCIQQBUXQR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.53
Rot. Bonds7

About N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide

N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide (PubChem CID 131928295) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide
PubChem CID131928295
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC NameN-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide
SMILESCc1cccc(C(C(=O)Nc2cccc(NC(=O)CC(C)C)c2C)N(C)C)c1
InChIInChI=1S/C23H31N3O2/c1-15(2)13-21(27)24-19-11-8-12-20(17(19)4)25-23(28)22(26(5)6)18-10-7-9-16(3)14-18/h7-12,14-15,22H,13H2,1-6H3,(H,24,27)(H,25,28)
InChIKeyCFODYCIQQBUXQR-UHFFFAOYSA-N
XLogP4.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-2-methylphenyl)-3-methylbutanamide
CID 39975961
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
methyl 2-methyl-3-(3-methylbutanoylamino)benzoate
CID 17297258
(2S)-2-(dimethylamino)-N-[(1-hydroxycyclohexyl)methyl]-2-(3-methylphenyl)acetamide
CID 97203958
(2S)-2-(dimethylamino)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(3-methylphenyl)acetamide
CID 97200777
N-[3-(1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylbutanamide
CID 168516325
(2R)-2-(dimethylamino)-N-[1-(hydroxymethyl)cyclopentyl]-2-(3-methylphenyl)acetamide
CID 97154573
N-(2-bromophenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110425843
2-(dimethylamino)-N-(4-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 72887819
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide?
The IUPAC name of N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide (CID 131928295) is N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide is Cc1cccc(C(C(=O)Nc2cccc(NC(=O)CC(C)C)c2C)N(C)C)c1.
What is the InChIKey of N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide?
The InChIKey is CFODYCIQQBUXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-15(2)13-21(27)24-19-11-8-12-20(17(19)4)25-23(28)22(26(5)6)18-10-7-9-16(3)14-18/h7-12,14-15,22H,13H2,1-6H3,(H,24,27)(H,25,28).
What are the key properties of N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide?
N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide has a molecular weight of 381.52 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-3-methylbutanamide is sourced from PubChem (CID 131928295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).