1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea

C24H23N3O3 — CID 99807610

IUPAC1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2cccc3ccccc23)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C24H23N3O3/c1-15-14-18(10-11-21(15)27-22(28)12-13-23(27)29)26-24(30)25-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-11,14,16H,12-13H2,1-2H3,(H2,25,26,30)/t16-/m0/s1
InChIKeyRHABYYXJJLJRPJ-INIZCTEOSA-N
MW401.47 g/mol
LogP4.68
Rot. Bonds4

About 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea

1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea (PubChem CID 99807610) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
PubChem CID99807610
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea
SMILESCc1cc(NC(=O)N[C@@H](C)c2cccc3ccccc23)ccc1N1C(=O)CCC1=O
InChIInChI=1S/C24H23N3O3/c1-15-14-18(10-11-21(15)27-22(28)12-13-23(27)29)26-24(30)25-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-11,14,16H,12-13H2,1-2H3,(H2,25,26,30)/t16-/m0/s1
InChIKeyRHABYYXJJLJRPJ-INIZCTEOSA-N
XLogP4.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1R)-1-naphthalen-1-ylethyl]-3-(8-nitronaphthalen-2-yl)urea
CID 56990515
1-[(1R)-1-naphthalen-1-ylethyl]-3-(7-nitro-9,10-dihydrophenanthren-2-yl)urea
CID 70395287
1-(1-naphthalen-1-ylethyl)-3-(4-pyrimidin-2-yloxyphenyl)urea
CID 87044684
N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86941653
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
1-[1-(2-methylphenyl)ethyl]-3-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]urea
CID 60614486
1-(3,4-dimethylphenyl)-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497477
1-[4-[[4-(hydroxymethyl)phenyl]methylsulfonyl]phenyl]-3-(1-naphthalen-1-ylethyl)urea
CID 130447405
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
(2S)-3,3-dimethyl-2-[[(1S)-1-naphthalen-1-ylethyl]carbamoylamino]butanoic acid
CID 69229055
5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea?
The IUPAC name of 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea (CID 99807610) is 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea?
The canonical SMILES for 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea is Cc1cc(NC(=O)N[C@@H](C)c2cccc3ccccc23)ccc1N1C(=O)CCC1=O.
What is the InChIKey of 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea?
The InChIKey is RHABYYXJJLJRPJ-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-15-14-18(10-11-21(15)27-22(28)12-13-23(27)29)26-24(30)25-16(2)19-9-5-7-17-6-3-4-8-20(17)19/h3-11,14,16H,12-13H2,1-2H3,(H2,25,26,30)/t16-/m0/s1.
What are the key properties of 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea?
1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]-3-[(1S)-1-naphthalen-1-ylethyl]urea is sourced from PubChem (CID 99807610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).