1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea

C20H32N2O3 — CID 119072862

IUPAC1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)N(Cc1cccc(OC)c1)C1CCCCCC1
InChIInChI=1S/C20H32N2O3/c1-16(15-24-2)21-20(23)22(18-10-6-4-5-7-11-18)14-17-9-8-12-19(13-17)25-3/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23)
InChIKeyISFCWQXOQSHTJR-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.96
Rot. Bonds7

About 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea

1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea (PubChem CID 119072862) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
PubChem CID119072862
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea
SMILESCOCC(C)NC(=O)N(Cc1cccc(OC)c1)C1CCCCCC1
InChIInChI=1S/C20H32N2O3/c1-16(15-24-2)21-20(23)22(18-10-6-4-5-7-11-18)14-17-9-8-12-19(13-17)25-3/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23)
InChIKeyISFCWQXOQSHTJR-UHFFFAOYSA-N
XLogP3.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[cyclopropyl(propan-2-ylcarbamoyl)amino]methyl]phenyl] 4-methoxybenzenesulfonate
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CID 125437502
1-(cyclopropylmethyl)-1-[(3-hydroxyphenyl)methyl]-3-[(2S)-1-methoxypropan-2-yl]urea
CID 95772645
N-cyclopropyl-N-[[3-(2-methylpropoxy)phenyl]methyl]cyclohexanecarboxamide
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(2R)-N-cyclohexyl-2-[(3-methoxyphenyl)methyl-propanoylamino]propanamide
CID 100511579
3-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 45176393
4-[2-(3-methoxyphenyl)acetyl]-N-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95156327
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CID 63386912
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N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
1-benzyl-3-[1-(3-methoxyphenyl)propan-2-yl]-1-propan-2-ylurea
CID 86943865
N-(cyclohexylmethyl)-N'-[(3-methoxyphenyl)methyl]-N'-methylethane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
The IUPAC name of 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea (CID 119072862) is 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea.
What is the SMILES notation for 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
The canonical SMILES for 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea is COCC(C)NC(=O)N(Cc1cccc(OC)c1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
The InChIKey is ISFCWQXOQSHTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-16(15-24-2)21-20(23)22(18-10-6-4-5-7-11-18)14-17-9-8-12-19(13-17)25-3/h8-9,12-13,16,18H,4-7,10-11,14-15H2,1-3H3,(H,21,23).
What are the key properties of 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea?
1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea has a molecular weight of 348.49 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-[(3-methoxyphenyl)methyl]-3-(1-methoxypropan-2-yl)urea is sourced from PubChem (CID 119072862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).