1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea

C17H27N3O2 — CID 124575953

IUPAC1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCCN(C)c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-14(15-8-12-22-13-9-15)19-17(21)18-10-11-20(2)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyDDLMDZUOZJGSTJ-AWEZNQCLSA-N
MW305.42 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea

1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea (PubChem CID 124575953) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
PubChem CID124575953
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
SMILESC[C@H](NC(=O)NCCN(C)c1ccccc1)C1CCOCC1
InChIInChI=1S/C17H27N3O2/c1-14(15-8-12-22-13-9-15)19-17(21)18-10-11-20(2)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,18,19,21)/t14-/m0/s1
InChIKeyDDLMDZUOZJGSTJ-AWEZNQCLSA-N
XLogP2.24
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(oxan-4-yl)ethylcarbamoylamino]pentanoic acid
CID 114115295
1-[2-(2-ethoxyphenyl)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 97058604
4-(aminomethyl)-N-[2-(N-methylanilino)ethyl]oxane-4-carboxamide
CID 115439457
2-chloro-N-[2-(N-methylanilino)ethyl]propanamide
CID 43168070
N-[2-(N-methylanilino)ethyl]-2-piperidin-4-ylacetamide
CID 61260106
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[(2S)-2-thiophen-2-ylpropyl]urea
CID 97087338
1-[(1R)-1-(oxan-4-yl)ethyl]-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 99815147
3-(cyclopropylamino)-N-[2-(N-methylanilino)ethyl]propanamide
CID 61259203
(2S)-N-[2-(N-methylanilino)ethyl]oxane-2-carboxamide
CID 99576902
1-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-3-[2-(N-methylanilino)ethyl]urea
CID 98775452
phenyl N-[1-(oxan-4-yl)ethyl]carbamate
CID 103771775
1-(1-naphthalen-1-ylethyl)-3-[1-(oxan-4-yl)ethyl]urea
CID 136515157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The IUPAC name of 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea (CID 124575953) is 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea.
What is the SMILES notation for 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The canonical SMILES for 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea is C[C@H](NC(=O)NCCN(C)c1ccccc1)C1CCOCC1.
What is the InChIKey of 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
The InChIKey is DDLMDZUOZJGSTJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-14(15-8-12-22-13-9-15)19-17(21)18-10-11-20(2)16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,18,19,21)/t14-/m0/s1.
What are the key properties of 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea?
1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea has a molecular weight of 305.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea is sourced from PubChem (CID 124575953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).