1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea

C18H27N3O2 — CID 75371413

IUPAC1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea
SMILESCC(NC1(CNC(=O)NC2CC2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14(15-5-3-2-4-6-15)21-18(9-11-23-12-10-18)13-19-17(22)20-16-7-8-16/h2-6,14,16,21H,7-13H2,1H3,(H2,19,20,22)
InChIKeyYPJNVPJXVJKWST-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.35
Rot. Bonds6

About 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea

1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea (PubChem CID 75371413) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea
PubChem CID75371413
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea
SMILESCC(NC1(CNC(=O)NC2CC2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H27N3O2/c1-14(15-5-3-2-4-6-15)21-18(9-11-23-12-10-18)13-19-17(22)20-16-7-8-16/h2-6,14,16,21H,7-13H2,1H3,(H2,19,20,22)
InChIKeyYPJNVPJXVJKWST-UHFFFAOYSA-N
XLogP2.35
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea with MolForge

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Related Compounds

N-(1-phenylethyl)morpholine-4-carboxamide
CID 3136314
1-(Oxan-4-ylmethyl)-3-(3-phenylpropyl)urea
CID 108913037
2-[benzyl(oxan-4-ylmethyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 56787457
3-benzhydryl-1-(tetrahydro-2H-pyran-4-yl)-1-(2,2,2-trifluoroethyl)urea
CID 71796151
1-[1-(3,4-Difluorophenyl)ethyl]-3-[2-(4-methoxypiperidin-1-yl)ethyl]urea
CID 71923833
1-[1-(4-Fluorophenyl)ethyl]-3-[(4-methylsulfanyloxan-4-yl)methyl]urea
CID 71990752
tert-butyl N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]carbamate
CID 72015210
3,3-dimethyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]butanamide
CID 72015306
2-ethyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]butanamide
CID 72015307
2-cyano-2-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide
CID 72015313
2-ethoxy-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]acetamide
CID 72015317
2-cyclopentyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]acetamide
CID 72015325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea (CID 75371413) is 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea is CC(NC1(CNC(=O)NC2CC2)CCOCC1)c1ccccc1.
What is the InChIKey of 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea?
The InChIKey is YPJNVPJXVJKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14(15-5-3-2-4-6-15)21-18(9-11-23-12-10-18)13-19-17(22)20-16-7-8-16/h2-6,14,16,21H,7-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea?
1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea has a molecular weight of 317.43 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[4-(1-phenylethylamino)oxan-4-yl]methyl]urea is sourced from PubChem (CID 75371413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).