1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea

C20H33N3O2 — CID 60600235

IUPAC1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCCOc1cccc(C(C)NC(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C20H33N3O2/c1-4-25-19-11-7-10-18(15-19)17(3)22-20(24)21-12-8-14-23-13-6-5-9-16(23)2/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H2,21,22,24)
InChIKeyKFOLNNITNXNRJQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.71
Rot. Bonds8

About 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea

1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea (PubChem CID 60600235) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
PubChem CID60600235
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
SMILESCCOc1cccc(C(C)NC(=O)NCCCN2CCCCC2C)c1
InChIInChI=1S/C20H33N3O2/c1-4-25-19-11-7-10-18(15-19)17(3)22-20(24)21-12-8-14-23-13-6-5-9-16(23)2/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H2,21,22,24)
InChIKeyKFOLNNITNXNRJQ-UHFFFAOYSA-N
XLogP3.71
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3-methoxyphenyl)propan-2-yl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 86943734
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
CID 91223187
3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
CID 42778020
N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43760694
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
1-[2-[(R)-tert-butylsulfinyl]ethyl]-3-[(1R)-1-(3-ethoxyphenyl)ethyl]urea
CID 95344471
1-(3-methylphenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 51244180
1-[2-(3-ethoxyphenoxy)ethyl]-3-(1-phenylethyl)urea
CID 112972965
3-(2-amino-2-oxoethoxy)-N-[4-[(2R)-2-methylpiperidin-1-yl]butyl]benzamide
CID 94120837
N-[1-(3-bromophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43193187
2-(3-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)acetic acid
CID 84748280

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea (CID 60600235) is 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea is CCOc1cccc(C(C)NC(=O)NCCCN2CCCCC2C)c1.
What is the InChIKey of 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
The InChIKey is KFOLNNITNXNRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-4-25-19-11-7-10-18(15-19)17(3)22-20(24)21-12-8-14-23-13-6-5-9-16(23)2/h7,10-11,15-17H,4-6,8-9,12-14H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea?
1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea has a molecular weight of 347.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethoxyphenyl)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 60600235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).