1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea

C18H26N2O2 — CID 49472541

IUPAC1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccccc1C(C)NC(=O)N(C)C(C1CC1)C1CC1
InChIInChI=1S/C18H26N2O2/c1-12(15-6-4-5-7-16(15)22-3)19-18(21)20(2)17(13-8-9-13)14-10-11-14/h4-7,12-14,17H,8-11H2,1-3H3,(H,19,21)
InChIKeyIJLVQGQRWHXMEV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.59
Rot. Bonds6

About 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea

1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea (PubChem CID 49472541) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea
PubChem CID49472541
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea
SMILESCOc1ccccc1C(C)NC(=O)N(C)C(C1CC1)C1CC1
InChIInChI=1S/C18H26N2O2/c1-12(15-6-4-5-7-16(15)22-3)19-18(21)20(2)17(13-8-9-13)14-10-11-14/h4-7,12-14,17H,8-11H2,1-3H3,(H,19,21)
InChIKeyIJLVQGQRWHXMEV-UHFFFAOYSA-N
XLogP3.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 49475188
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
1-cyclopropyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 81397213
N-[1-(2-methoxyphenyl)ethyl]-3-methylbut-2-enamide
CID 47101319
2-cyclohexyl-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144509
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-bromo-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 107905549
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626
(2S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81387712
2-bromo-N-[1-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 114327366
2,2,2-trifluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 81387957

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
The IUPAC name of 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea (CID 49472541) is 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea is COc1ccccc1C(C)NC(=O)N(C)C(C1CC1)C1CC1.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
The InChIKey is IJLVQGQRWHXMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(15-6-4-5-7-16(15)22-3)19-18(21)20(2)17(13-8-9-13)14-10-11-14/h4-7,12-14,17H,8-11H2,1-3H3,(H,19,21).
What are the key properties of 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea?
1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea has a molecular weight of 302.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea is sourced from PubChem (CID 49472541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).