1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea

C18H30N2O — CID 142110779

IUPAC1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(C(C)CC)cc1)C(C)CC
InChIInChI=1S/C18H30N2O/c1-6-13-20(15(5)8-3)18(21)19-17-11-9-16(10-12-17)14(4)7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,19,21)
InChIKeyGVEMEKXGKOPWLD-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.24
Rot. Bonds7

About 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea

1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea (PubChem CID 142110779) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea.

Molecular Properties

Compound Name1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea
PubChem CID142110779
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(C(C)CC)cc1)C(C)CC
InChIInChI=1S/C18H30N2O/c1-6-13-20(15(5)8-3)18(21)19-17-11-9-16(10-12-17)14(4)7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,19,21)
InChIKeyGVEMEKXGKOPWLD-UHFFFAOYSA-N
XLogP5.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-aminophenyl)-1-butan-2-yl-1-ethylurea
CID 43469114
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
3-[4-[[butan-2-yl(methyl)carbamoyl]amino]phenyl]butanoic acid
CID 104503290
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
3-[butan-2-yl-[(4-propan-2-ylphenyl)carbamoyl]amino]-N-naphthalen-2-ylpropanamide
CID 42699211
3-(4-butan-2-ylphenyl)-1,1-dibutylthiourea
CID 17283656
3-[4-[1-(methylamino)ethyl]phenyl]-1,1-dipropylurea
CID 61339464
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
1-(4-butan-2-ylphenyl)-3-tert-butylurea
CID 6471062
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
CID 23585233
2-[butan-2-yl-[(4-fluorophenyl)carbamoyl]amino]acetic acid
CID 60828601

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea?
The IUPAC name of 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea (CID 142110779) is 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea.
What is the SMILES notation for 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea?
The canonical SMILES for 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea is CCCN(C(=O)Nc1ccc(C(C)CC)cc1)C(C)CC.
What is the InChIKey of 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea?
The InChIKey is GVEMEKXGKOPWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-6-13-20(15(5)8-3)18(21)19-17-11-9-16(10-12-17)14(4)7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,19,21).
What are the key properties of 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea?
1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea has a molecular weight of 290.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-(4-butan-2-ylphenyl)-1-propylurea is sourced from PubChem (CID 142110779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).