N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide

C25H26N4O3 — CID 14996931

IUPACN-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
SMILESCc1cccc(NC(=O)CN(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)c1
InChIInChI=1S/C25H26N4O3/c1-18-8-6-10-20(14-18)27-23(30)17-29(22-12-4-3-5-13-22)24(31)16-26-25(32)28-21-11-7-9-19(2)15-21/h3-15H,16-17H2,1-2H3,(H,27,30)(H2,26,28,32)
InChIKeyLHDOMISSZPLSFP-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.10
Rot. Bonds7

About N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide

N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide (PubChem CID 14996931) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
PubChem CID14996931
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
SMILESCc1cccc(NC(=O)CN(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)c1
InChIInChI=1S/C25H26N4O3/c1-18-8-6-10-20(14-18)27-23(30)17-29(22-12-4-3-5-13-22)24(31)16-26-25(32)28-21-11-7-9-19(2)15-21/h3-15H,16-17H2,1-2H3,(H,27,30)(H2,26,28,32)
InChIKeyLHDOMISSZPLSFP-UHFFFAOYSA-N
XLogP4.10
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996884
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
CID 19754797
N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,3,5-trimethylanilino)ethoxy]phenyl]acetamide
CID 10817669
2-(N-[2-[(3-methylsulfanylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 67858378
N-[3-[2-(3-hydroxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 10698959
2-[2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]phenyl]sulfanylacetic acid
CID 139763574
ethyl 2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]benzoate
CID 19002043
(E)-3-[3-[[2-(N-[2-(N-methylanilino)-2-oxoethyl]anilino)-2-oxoethyl]carbamoylamino]phenyl]prop-2-enoic acid
CID 14997027
N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-[3-[2-oxo-2-(N,2,3-trimethylanilino)ethoxy]phenyl]acetamide
CID 10603935
N-(3-fluorophenyl)-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 772239

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
The IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide (CID 14996931) is N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide.
What is the SMILES notation for N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
The canonical SMILES for N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide is Cc1cccc(NC(=O)CN(C(=O)CNC(=O)Nc2cccc(C)c2)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
The InChIKey is LHDOMISSZPLSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-18-8-6-10-20(14-18)27-23(30)17-29(22-12-4-3-5-13-22)24(31)16-26-25(32)28-21-11-7-9-19(2)15-21/h3-15H,16-17H2,1-2H3,(H,27,30)(H2,26,28,32).
What are the key properties of N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide has a molecular weight of 430.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide is sourced from PubChem (CID 14996931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).