1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea

C23H28N4O2 — CID 42707836

IUPAC1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
SMILESCn1cccc1CN(CCN1CCOCC1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H28N4O2/c1-25-11-5-8-20(25)18-27(13-12-26-14-16-29-17-15-26)23(28)24-22-10-4-7-19-6-2-3-9-21(19)22/h2-11H,12-18H2,1H3,(H,24,28)
InChIKeyIVYODYUSRSHQRR-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.54
Rot. Bonds6

About 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea

1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea (PubChem CID 42707836) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
PubChem CID42707836
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
SMILESCn1cccc1CN(CCN1CCOCC1)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C23H28N4O2/c1-25-11-5-8-20(25)18-27(13-12-26-14-16-29-17-15-26)23(28)24-22-10-4-7-19-6-2-3-9-21(19)22/h2-11H,12-18H2,1H3,(H,24,28)
InChIKeyIVYODYUSRSHQRR-UHFFFAOYSA-N
XLogP3.54
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea 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-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
CID 42700838
2-[butyl(naphthalen-1-ylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 3880638
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-2-phenylacetamide
CID 42705113
N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)-4-phenylbenzamide
CID 1060482
3-(2-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706414
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 66845772
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419
1-(3-methoxypropyl)-3-(2-methylphenyl)-1-[(1-methylpyrrol-2-yl)methyl]urea
CID 3884877
N-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)morpholine-4-carboxamide
CID 3807765
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea (CID 42707836) is 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea is Cn1cccc1CN(CCN1CCOCC1)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
The InChIKey is IVYODYUSRSHQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-25-11-5-8-20(25)18-27(13-12-26-14-16-29-17-15-26)23(28)24-22-10-4-7-19-6-2-3-9-21(19)22/h2-11H,12-18H2,1H3,(H,24,28).
What are the key properties of 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea has a molecular weight of 392.50 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 42707836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).