1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

C18H29N3O4 — CID 3837441

IUPAC1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)N(C)C)c1
InChIInChI=1S/C18H29N3O4/c1-19(2)18(22)21(8-7-20-9-11-25-12-10-20)14-15-13-16(23-3)5-6-17(15)24-4/h5-6,13H,7-12,14H2,1-4H3
InChIKeyQOWGIKASGRFAHB-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.52
Rot. Bonds7

About 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea

1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (PubChem CID 3837441) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
PubChem CID3837441
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea
SMILESCOc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)N(C)C)c1
InChIInChI=1S/C18H29N3O4/c1-19(2)18(22)21(8-7-20-9-11-25-12-10-20)14-15-13-16(23-3)5-6-17(15)24-4/h5-6,13H,7-12,14H2,1-4H3
InChIKeyQOWGIKASGRFAHB-UHFFFAOYSA-N
XLogP1.52
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,5-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)quinoline-2-carboxamide
CID 3762053
2-[[(2,5-dimethoxyphenyl)methyl-(2-morpholin-4-ylethyl)amino]methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42833797
2-(2-methoxyphenyl)-N-methyl-N-(2-morpholin-4-ylethyl)acetamide
CID 110753277
phenyl N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 3784523
2,4-dimethoxy-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)benzamide
CID 90607312
(2,5-dimethoxyphenyl)methyl morpholine-4-carboxylate
CID 150562472
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 4059568
1-[2-methoxy-5-(3-morpholin-4-ylpropyl)phenyl]-N,N-dimethylmethanamine
CID 170870625
2-[4-methoxy-3-[[2-morpholin-4-ylethyl(sulfino)amino]methyl]benzoyl]sulfanylacetic acid
CID 89455375
1-[(4-methoxyphenyl)methyl]-1-(2-morpholin-4-ylethyl)-3-propan-2-ylthiourea
CID 4112704

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea (CID 3837441) is 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is COc1ccc(OC)c(CN(CCN2CCOCC2)C(=O)N(C)C)c1.
What is the InChIKey of 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is QOWGIKASGRFAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-19(2)18(22)21(8-7-20-9-11-25-12-10-20)14-15-13-16(23-3)5-6-17(15)24-4/h5-6,13H,7-12,14H2,1-4H3.
What are the key properties of 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea?
1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 351.45 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethoxyphenyl)methyl]-3,3-dimethyl-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 3837441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).