1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea

C23H34N2O2 — CID 55911273

IUPAC1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCOCC1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C23H34N2O2/c26-22(25(21-11-12-21)17-19-7-3-1-4-8-19)24-18-23(13-15-27-16-14-23)20-9-5-2-6-10-20/h2,5-6,9-10,19,21H,1,3-4,7-8,11-18H2,(H,24,26)
InChIKeyDTRJXGTYUVDQBX-UHFFFAOYSA-N
MW370.54 g/mol
LogP4.49
Rot. Bonds6

About 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea

1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea (PubChem CID 55911273) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea
PubChem CID55911273
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea
SMILESO=C(NCC1(c2ccccc2)CCOCC1)N(CC1CCCCC1)C1CC1
InChIInChI=1S/C23H34N2O2/c26-22(25(21-11-12-21)17-19-7-3-1-4-8-19)24-18-23(13-15-27-16-14-23)20-9-5-2-6-10-20/h2,5-6,9-10,19,21H,1,3-4,7-8,11-18H2,(H,24,26)
InChIKeyDTRJXGTYUVDQBX-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 38287346
1-(1-cyclopropylethyl)-1-methyl-3-[(4-phenyloxan-4-yl)methyl]urea
CID 87007692
2-(1-hydroxycyclopentyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 111430576
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
1-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 119293535
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
3-(hydroxymethyl)-N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-1-carboxamide
CID 111443730
3-amino-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731085
cis-(1R,3S)-3-hydroxy-N-[(4-phenyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 99779324
1-cycloheptyl-3-[[4-(4-fluorophenyl)oxan-4-yl]methyl]urea
CID 71796603
N-[(4-phenyloxan-4-yl)methyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131926281

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The IUPAC name of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea (CID 55911273) is 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea.
What is the SMILES notation for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The canonical SMILES for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea is O=C(NCC1(c2ccccc2)CCOCC1)N(CC1CCCCC1)C1CC1.
What is the InChIKey of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea?
The InChIKey is DTRJXGTYUVDQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c26-22(25(21-11-12-21)17-19-7-3-1-4-8-19)24-18-23(13-15-27-16-14-23)20-9-5-2-6-10-20/h2,5-6,9-10,19,21H,1,3-4,7-8,11-18H2,(H,24,26).
What are the key properties of 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea?
1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea has a molecular weight of 370.54 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-1-cyclopropyl-3-[(4-phenyloxan-4-yl)methyl]urea is sourced from PubChem (CID 55911273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).