1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea

C17H27N3O3 — CID 56754509

IUPAC1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCCN1CCOC(CCNC(=O)Nc2cc(C)ccc2OC)C1
InChIInChI=1S/C17H27N3O3/c1-4-20-9-10-23-14(12-20)7-8-18-17(21)19-15-11-13(2)5-6-16(15)22-3/h5-6,11,14H,4,7-10,12H2,1-3H3,(H2,18,19,21)
InChIKeyPTUICVIPJZRNOF-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea

1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea (PubChem CID 56754509) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
PubChem CID56754509
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
SMILESCCN1CCOC(CCNC(=O)Nc2cc(C)ccc2OC)C1
InChIInChI=1S/C17H27N3O3/c1-4-20-9-10-23-14(12-20)7-8-18-17(21)19-15-11-13(2)5-6-16(15)22-3/h5-6,11,14H,4,7-10,12H2,1-3H3,(H2,18,19,21)
InChIKeyPTUICVIPJZRNOF-UHFFFAOYSA-N
XLogP2.24
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-3-(2-methoxy-5-methylphenyl)urea
CID 82080459
2-[(4-ethylmorpholin-2-yl)methylamino]-4-methylbenzoic acid
CID 114400372
N'-(2-methoxy-5-methylphenyl)-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]oxamide
CID 27487199
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-methoxy-5-methylphenyl)urea
CID 3670112
1-(2-methoxy-5-methylphenyl)-3-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]urea
CID 23609182
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-methoxy-5-methylphenyl)urea
CID 970730
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139
1-[[(2R)-4-benzylmorpholin-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 51579370
N-[(4-ethylmorpholin-2-yl)methyl]-4-methoxy-3-methylaniline
CID 79166344
2-[[(2-methoxy-5-methylphenyl)carbamoylamino]methyl]butanoic acid
CID 65219720
1-(2-methoxy-5-methylphenyl)-3-[(4-methylphenyl)methyl]urea
CID 6467864
N-(2-methoxy-5-methylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119674247

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The IUPAC name of 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea (CID 56754509) is 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea.
What is the SMILES notation for 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The canonical SMILES for 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea is CCN1CCOC(CCNC(=O)Nc2cc(C)ccc2OC)C1.
What is the InChIKey of 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
The InChIKey is PTUICVIPJZRNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-4-20-9-10-23-14(12-20)7-8-18-17(21)19-15-11-13(2)5-6-16(15)22-3/h5-6,11,14H,4,7-10,12H2,1-3H3,(H2,18,19,21).
What are the key properties of 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea?
1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea has a molecular weight of 321.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylmorpholin-2-yl)ethyl]-3-(2-methoxy-5-methylphenyl)urea is sourced from PubChem (CID 56754509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).