1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea

C19H21N3O2 — CID 71857269

IUPAC1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea
SMILESCC(CC#N)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c1-15(12-13-20)22(2)19(23)21-17-8-10-18(11-9-17)24-14-16-6-4-3-5-7-16/h3-11,15H,12,14H2,1-2H3,(H,21,23)
InChIKeyHWOAPTURRCAYGU-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.03
Rot. Bonds6

About 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea

1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea (PubChem CID 71857269) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea
PubChem CID71857269
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea
SMILESCC(CC#N)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H21N3O2/c1-15(12-13-20)22(2)19(23)21-17-8-10-18(11-9-17)24-14-16-6-4-3-5-7-16/h3-11,15H,12,14H2,1-2H3,(H,21,23)
InChIKeyHWOAPTURRCAYGU-UHFFFAOYSA-N
XLogP4.03
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyanopropan-2-yl)-1-methyl-3-phenylurea
CID 63225008
1-(1-cyanopropan-2-yl)-1-methyl-3-(4-nitrophenyl)urea
CID 55174543
3-[[1-cyanopropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 63228357
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
(2R)-2-(4-cyanophenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 2541572
2-(4-phenylmethoxyanilino)propanoic acid
CID 22078170
(2S)-N-ethyl-N-methyl-2-[(4-phenylmethoxyphenyl)carbamoylamino]propanamide
CID 124735239
(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
3-[4-(N-methyl-4-phenylmethoxyanilino)phenyl]butanenitrile
CID 118954426
N-[4-(dimethylamino)phenyl]-2-(4-phenylmethoxyanilino)propanamide
CID 154774074
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea?
The IUPAC name of 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea (CID 71857269) is 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea is CC(CC#N)N(C)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea?
The InChIKey is HWOAPTURRCAYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(12-13-20)22(2)19(23)21-17-8-10-18(11-9-17)24-14-16-6-4-3-5-7-16/h3-11,15H,12,14H2,1-2H3,(H,21,23).
What are the key properties of 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea?
1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea has a molecular weight of 323.40 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyanopropan-2-yl)-1-methyl-3-(4-phenylmethoxyphenyl)urea is sourced from PubChem (CID 71857269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).