N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide

C26H28N4O3 — CID 55958052

IUPACN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)CCNC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-19-7-5-11-22(15-19)29-26(33)30-23-12-6-10-21(16-23)18-28-24(31)13-14-27-25(32)17-20-8-3-2-4-9-20/h2-12,15-16H,13-14,17-18H2,1H3,(H,27,32)(H,28,31)(H2,29,30,33)
InChIKeyOFUMYGUQBKOOER-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.00
Rot. Bonds9

About N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide

N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide (PubChem CID 55958052) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide.

Molecular Properties

Compound NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
PubChem CID55958052
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide
SMILESCc1cccc(NC(=O)Nc2cccc(CNC(=O)CCNC(=O)Cc3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-19-7-5-11-22(15-19)29-26(33)30-23-12-6-10-21(16-23)18-28-24(31)13-14-27-25(32)17-20-8-3-2-4-9-20/h2-12,15-16H,13-14,17-18H2,1H3,(H,27,32)(H,28,31)(H2,29,30,33)
InChIKeyOFUMYGUQBKOOER-UHFFFAOYSA-N
XLogP4.00
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]heptanamide;hydrochloride
CID 119719678
tert-butyl N-[3-[3-[[[2-(3-methylphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921418
4-methoxy-N-[4-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methylamino]-4-oxobutyl]benzamide
CID 55958304
N-[(3-methylphenyl)methyl]-2-(phenylcarbamoylamino)acetamide
CID 38294266
3-(3-chloro-4-methoxyphenyl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]propanamide
CID 55958053
tert-butyl N-[2-oxo-2-[3-[[(2-phenylacetyl)amino]methyl]anilino]ethyl]carbamate
CID 108918347
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 55817540
2-(5-fluoro-2-methyl-1H-indol-3-yl)-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]acetamide
CID 60550111
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
CID 119287307
N-[(3-methylphenyl)methyl]-3-[(4-methylphenyl)methylamino]propanamide
CID 109019412
3-(4-methylanilino)-N-[(3-methylphenyl)methyl]propanamide
CID 37430844
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide?
The IUPAC name of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide (CID 55958052) is N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide.
What is the SMILES notation for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide?
The canonical SMILES for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide is Cc1cccc(NC(=O)Nc2cccc(CNC(=O)CCNC(=O)Cc3ccccc3)c2)c1.
What is the InChIKey of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide?
The InChIKey is OFUMYGUQBKOOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-19-7-5-11-22(15-19)29-26(33)30-23-12-6-10-21(16-23)18-28-24(31)13-14-27-25(32)17-20-8-3-2-4-9-20/h2-12,15-16H,13-14,17-18H2,1H3,(H,27,32)(H,28,31)(H2,29,30,33).
What are the key properties of N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide?
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide has a molecular weight of 444.54 g/mol, XLogP of 4.00, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-3-[(2-phenylacetyl)amino]propanamide is sourced from PubChem (CID 55958052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).