1-phenylbutylurea

C11H16N2O — CID 2852079

IUPAC1-phenylbutylurea
SMILESCCCC(NC(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-6-10(13-11(12)14)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H3,12,13,14)
InChIKeyYZVVKQXHKDSVEB-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.20
Rot. Bonds4

About 1-phenylbutylurea

1-phenylbutylurea (PubChem CID 2852079) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-phenylbutylurea.

Molecular Properties

Compound Name1-phenylbutylurea
PubChem CID2852079
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-phenylbutylurea
SMILESCCCC(NC(N)=O)c1ccccc1
InChIInChI=1S/C11H16N2O/c1-2-6-10(13-11(12)14)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H3,12,13,14)
InChIKeyYZVVKQXHKDSVEB-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-1-phenylpropyl)urea
CID 118035528
2-(1-phenylbutylamino)propanamide
CID 43401102
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
benzyl N-(1-phenylbutyl)carbamate
CID 101400436
1,2-diphenylethylurea
CID 2853470
2,2,2-trifluoroethyl N-(1-phenylbutyl)carbamate
CID 60705858
[3-(1,3-dioxol-2-yl)-1-phenylpropyl]urea
CID 57231840
4-fluoro-N-(1-phenylbutyl)benzamide
CID 60657146
1-phenylhexylcarbamic acid
CID 21477897
(2-azido-1-phenylethyl)urea
CID 121416559
4-(1-phenylbutylamino)piperidine-1-carboxamide
CID 43785944
N-[(1R)-1-phenylbutyl]furan-2-carboxamide
CID 29086850

Frequently Asked Questions

What is the IUPAC name of 1-phenylbutylurea?
The IUPAC name of 1-phenylbutylurea (CID 2852079) is 1-phenylbutylurea.
What is the SMILES notation for 1-phenylbutylurea?
The canonical SMILES for 1-phenylbutylurea is CCCC(NC(N)=O)c1ccccc1.
What is the InChIKey of 1-phenylbutylurea?
The InChIKey is YZVVKQXHKDSVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-6-10(13-11(12)14)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H3,12,13,14).
What are the key properties of 1-phenylbutylurea?
1-phenylbutylurea has a molecular weight of 192.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbutylurea is sourced from PubChem (CID 2852079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).