1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea

C20H30N2O4 — CID 49475188

IUPAC1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(C(C)NC(=O)N(C)C(C2CC2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C20H30N2O4/c1-12(15-10-16(24-3)19(26-5)17(11-15)25-4)21-20(23)22(2)18(13-6-7-13)14-8-9-14/h10-14,18H,6-9H2,1-5H3,(H,21,23)
InChIKeyQIXWHRJVBUTRMM-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.60
Rot. Bonds8

About 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea

1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea (PubChem CID 49475188) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
PubChem CID49475188
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea
SMILESCOc1cc(C(C)NC(=O)N(C)C(C2CC2)C2CC2)cc(OC)c1OC
InChIInChI=1S/C20H30N2O4/c1-12(15-10-16(24-3)19(26-5)17(11-15)25-4)21-20(23)22(2)18(13-6-7-13)14-8-9-14/h10-14,18H,6-9H2,1-5H3,(H,21,23)
InChIKeyQIXWHRJVBUTRMM-UHFFFAOYSA-N
XLogP3.60
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(dicyclopropylmethyl)-3-[1-(2-methoxyphenyl)ethyl]-1-methylurea
CID 49472541
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287627
N-[1-(3,4,5-trimethoxyphenyl)ethyl]hydroxylamine
CID 82684824
N-[1-(3,4,5-trimethoxyphenyl)ethyl]prop-2-enamide
CID 51346106
1-cyclopropyl-2-[1-(3,4,5-trimethoxyphenyl)ethylamino]ethanol
CID 63295210
2,4,5-trimethoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55714675
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 119720260
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119287617
N-[1-(3,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119287644
1-(1H-imidazol-2-ylmethyl)-1-methyl-3-[(1R)-1-(3,4,5-trimethoxyphenyl)ethyl]urea
CID 126434509
3-amino-N-[1-(3,4,5-trimethoxyphenyl)ethyl]butanamide
CID 119720284
2-[1-(3,4,5-trimethoxyphenyl)ethylamino]propanamide
CID 43545300

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The IUPAC name of 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea (CID 49475188) is 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea is COc1cc(C(C)NC(=O)N(C)C(C2CC2)C2CC2)cc(OC)c1OC.
What is the InChIKey of 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
The InChIKey is QIXWHRJVBUTRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-12(15-10-16(24-3)19(26-5)17(11-15)25-4)21-20(23)22(2)18(13-6-7-13)14-8-9-14/h10-14,18H,6-9H2,1-5H3,(H,21,23).
What are the key properties of 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea?
1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea has a molecular weight of 362.47 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-1-methyl-3-[1-(3,4,5-trimethoxyphenyl)ethyl]urea is sourced from PubChem (CID 49475188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).