1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea

C25H33N3O — CID 112834731

IUPAC1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea
SMILESO=C(NCC1CCN(C2CC2)C1)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H33N3O/c29-25(26-18-21-16-17-28(19-21)23-14-15-23)27-24(22-11-5-2-6-12-22)13-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,21,23-24H,7,10,13-19H2,(H2,26,27,29)
InChIKeyKDFRHDODKHUCKP-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.53
Rot. Bonds9

About 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea

1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea (PubChem CID 112834731) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea.

Molecular Properties

Compound Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea
PubChem CID112834731
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea
SMILESO=C(NCC1CCN(C2CC2)C1)NC(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C25H33N3O/c29-25(26-18-21-16-17-28(19-21)23-14-15-23)27-24(22-11-5-2-6-12-22)13-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,21,23-24H,7,10,13-19H2,(H2,26,27,29)
InChIKeyKDFRHDODKHUCKP-UHFFFAOYSA-N
XLogP4.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-phenylacetamide
CID 61180690
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95638289
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methyl-3-(3-phenylpropyl)guanidine
CID 111199352
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
N-(1,4-diphenylbutyl)piperidine-4-carboxamide
CID 119274203
2-(1,4-diphenylbutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 120974597
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-methyl-1-phenylbutan-1-amine
CID 60857323
1-benzhydryl-3-[(1-benzhydrylpyrrolidin-3-yl)methyl]urea
CID 11294480
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
N-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 93422584
N-[[(3R)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-naphthalen-2-ylpropanamide
CID 95303171
1-[[(3R)-1-(2,3-dihydro-1H-inden-2-yl)pyrrolidin-3-yl]methyl]-3-ethylurea
CID 95203939

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea?
The IUPAC name of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea (CID 112834731) is 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea.
What is the SMILES notation for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea?
The canonical SMILES for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea is O=C(NCC1CCN(C2CC2)C1)NC(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea?
The InChIKey is KDFRHDODKHUCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c29-25(26-18-21-16-17-28(19-21)23-14-15-23)27-24(22-11-5-2-6-12-22)13-7-10-20-8-3-1-4-9-20/h1-6,8-9,11-12,21,23-24H,7,10,13-19H2,(H2,26,27,29).
What are the key properties of 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea?
1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea has a molecular weight of 391.56 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-(1,4-diphenylbutyl)urea is sourced from PubChem (CID 112834731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).