2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide

C25H28N4O2 — CID 7230440

IUPAC2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N[C@@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C25H28N4O2/c1-17-9-8-12-20(15-17)27-25(31)28-21-13-14-23(29(3)4)22(16-21)24(30)26-18(2)19-10-6-5-7-11-19/h5-16,18H,1-4H3,(H,26,30)(H2,27,28,31)/t18-/m0/s1
InChIKeyPDQRDPCSJAFYCU-SFHVURJKSA-N
MW416.53 g/mol
LogP5.20
Rot. Bonds6

About 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide

2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 7230440) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide
PubChem CID7230440
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N[C@@H](C)c3ccccc3)c2)c1
InChIInChI=1S/C25H28N4O2/c1-17-9-8-12-20(15-17)27-25(31)28-21-13-14-23(29(3)4)22(16-21)24(30)26-18(2)19-10-6-5-7-11-19/h5-16,18H,1-4H3,(H,26,30)(H2,27,28,31)/t18-/m0/s1
InChIKeyPDQRDPCSJAFYCU-SFHVURJKSA-N
XLogP5.20
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.53
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 4038266
ethyl 2-[[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]carbamoylamino]acetate
CID 5152715
5-[(3,5-dimethoxybenzoyl)amino]-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CID 42747404
5-amino-2-(dimethylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 107863882
N-[4-(dimethylamino)-3-(1-phenylethylcarbamoyl)phenyl]-4-methyl-3-nitrobenzamide
CID 3948039
2-(dimethylamino)-5-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-N-(1-phenylethyl)benzamide
CID 42755956
3-acetamido-N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]benzamide
CID 55728026
N-cyclopropyl-2-(dimethylamino)-5-(phenylcarbamoylamino)benzamide
CID 811772
2-[[(1R)-1-(3-methylphenyl)ethyl]carbamoyl]benzoic acid
CID 81369000
1-[1-(3-chlorophenyl)ethyl]-3-(3-methylphenyl)urea
CID 47103423
5-[(2,4-dimethylphenyl)carbamoylamino]-N-(1-phenylethyl)-2-piperidin-1-ylbenzamide
CID 4544278
5-[(4-methylphenyl)carbamoylamino]-2-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)benzamide
CID 4691475

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide (CID 7230440) is 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide is Cc1cccc(NC(=O)Nc2ccc(N(C)C)c(C(=O)N[C@@H](C)c3ccccc3)c2)c1.
What is the InChIKey of 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is PDQRDPCSJAFYCU-SFHVURJKSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-9-8-12-20(15-17)27-25(31)28-21-13-14-23(29(3)4)22(16-21)24(30)26-18(2)19-10-6-5-7-11-19/h5-16,18H,1-4H3,(H,26,30)(H2,27,28,31)/t18-/m0/s1.
What are the key properties of 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide?
2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 5.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(3-methylphenyl)carbamoylamino]-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 7230440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).