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

C25H26N4O3 — CID 14996884

IUPACN-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
SMILESCc1cccc(NC(=O)NCC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H26N4O3/c1-19-9-8-12-21(15-19)28-25(32)27-17-24(31)29(22-13-6-3-7-14-22)18-23(30)26-16-20-10-4-2-5-11-20/h2-15H,16-18H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyKWYPZNXWDAWJNK-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.47
Rot. Bonds8

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

N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide (PubChem CID 14996884) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide.

Molecular Properties

Compound NameN-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
PubChem CID14996884
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
SMILESCc1cccc(NC(=O)NCC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)c1
InChIInChI=1S/C25H26N4O3/c1-19-9-8-12-21(15-19)28-25(32)27-17-24(31)29(22-13-6-3-7-14-22)18-23(30)26-16-20-10-4-2-5-11-20/h2-15H,16-18H2,1H3,(H,26,30)(H2,27,28,32)
InChIKeyKWYPZNXWDAWJNK-UHFFFAOYSA-N
XLogP3.47
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide
CID 14996931
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)acetic acid
CID 18951141
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
2-(N-[2-[(3-methylphenyl)carbamoylamino]acetyl]anilino)propanoic acid
CID 19754797
2-(N-acetylanilino)-N-(3-methylphenyl)acetamide
CID 113167157
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-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
N-[3-[2-(3-hydroxy-N-methylanilino)-2-oxoethoxy]phenyl]-N-[2-(N-methylanilino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 10698959
2-[(3-methylphenyl)carbamoylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 38743284
ethyl 2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]benzoate
CID 19002043
2-[2-[[2-(N-methylanilino)-2-oxoethyl]-[2-[(3-methylphenyl)carbamoylamino]acetyl]amino]phenyl]sulfanylacetic acid
CID 139763574

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
The IUPAC name of N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide (CID 14996884) is N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide.
What is the SMILES notation for N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
The canonical SMILES for N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide is Cc1cccc(NC(=O)NCC(=O)N(CC(=O)NCc2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
The InChIKey is KWYPZNXWDAWJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-19-9-8-12-21(15-19)28-25(32)27-17-24(31)29(22-13-6-3-7-14-22)18-23(30)26-16-20-10-4-2-5-11-20/h2-15H,16-18H2,1H3,(H,26,30)(H2,27,28,32).
What are the key properties of N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide?
N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide has a molecular weight of 430.51 g/mol, XLogP of 3.47, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylamino)-2-oxoethyl]-2-[(3-methylphenyl)carbamoylamino]-N-phenylacetamide is sourced from PubChem (CID 14996884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).