1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

C23H27N3O2 — CID 118789794

IUPAC1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C23H27N3O2/c27-22(26-14-3-4-15-26)19-12-10-17(11-13-19)16-24-23(28)25-21-9-5-7-18-6-1-2-8-20(18)21/h5,7,9-13H,1-4,6,8,14-16H2,(H2,24,25,28)
InChIKeyNQDKVUSAXQRDNK-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.12
Rot. Bonds4

About 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea

1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (PubChem CID 118789794) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
PubChem CID118789794
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
SMILESO=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc2c1CCCC2
InChIInChI=1S/C23H27N3O2/c27-22(26-14-3-4-15-26)19-12-10-17(11-13-19)16-24-23(28)25-21-9-5-7-18-6-1-2-8-20(18)21/h5,7,9-13H,1-4,6,8,14-16H2,(H2,24,25,28)
InChIKeyNQDKVUSAXQRDNK-UHFFFAOYSA-N
XLogP4.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-hydroxybenzoyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
CID 166230886
1-piperidin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethanone
CID 28573004
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea
CID 50744738
N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 46557813
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
2-(2-ethylanilino)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 29463689
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
(2S)-2-hydroxy-4-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)butanoic acid
CID 107837911
1-(5,6,7,8-tetrahydronaphthalen-1-yl)-3-[[3-[(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclohexyl]methyl]urea
CID 43834022
1-[4-(azepane-1-carbonyl)phenyl]-3-[(2-chlorophenyl)methyl]urea
CID 52667072
2-(2-fluorophenyl)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159675

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea (CID 118789794) is 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is O=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1cccc2c1CCCC2.
What is the InChIKey of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
The InChIKey is NQDKVUSAXQRDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(26-14-3-4-15-26)19-12-10-17(11-13-19)16-24-23(28)25-21-9-5-7-18-6-1-2-8-20(18)21/h5,7,9-13H,1-4,6,8,14-16H2,(H2,24,25,28).
What are the key properties of 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea?
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea has a molecular weight of 377.49 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3-(5,6,7,8-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 118789794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).