1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea

C16H27N3O2 — CID 71975516

IUPAC1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-2-8-17-15(20)18-13-16(6-4-3-5-7-16)14-19-9-11-21-12-10-19/h1H,3-14H2,(H2,17,18,20)
InChIKeyCGYUBSKHYPRYGQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.20
Rot. Bonds5

About 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea

1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea (PubChem CID 71975516) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea.

Molecular Properties

Compound Name1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
PubChem CID71975516
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea
SMILESC#CCNC(=O)NCC1(CN2CCOCC2)CCCCC1
InChIInChI=1S/C16H27N3O2/c1-2-8-17-15(20)18-13-16(6-4-3-5-7-16)14-19-9-11-21-12-10-19/h1H,3-14H2,(H2,17,18,20)
InChIKeyCGYUBSKHYPRYGQ-UHFFFAOYSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]propanamide
CID 119896444
(2S)-2-amino-3,3-dimethyl-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide;dihydrochloride
CID 119896471
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]butanamide
CID 119896490
(3S)-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]oxane-3-carboxamide
CID 96569943
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 126790169
N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]piperidine-3-carboxamide
CID 119896432
5-methyl-N-[[4-(piperidin-1-ylmethyl)oxan-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 91957981
(2R)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-2-pyrrol-1-ylbutanamide
CID 126444896
3-(2,5-dioxopyrrolidin-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
CID 91957375
N-[[4-(morpholin-4-ylmethyl)oxan-4-yl]methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 91957761
3-amino-N-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119896456
N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]oxolane-2-carboxamide
CID 91957399

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea?
The IUPAC name of 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea (CID 71975516) is 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea.
What is the SMILES notation for 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea?
The canonical SMILES for 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea is C#CCNC(=O)NCC1(CN2CCOCC2)CCCCC1.
What is the InChIKey of 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea?
The InChIKey is CGYUBSKHYPRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-8-17-15(20)18-13-16(6-4-3-5-7-16)14-19-9-11-21-12-10-19/h1H,3-14H2,(H2,17,18,20).
What are the key properties of 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea?
1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea has a molecular weight of 293.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(morpholin-4-ylmethyl)cyclohexyl]methyl]-3-prop-2-ynylurea is sourced from PubChem (CID 71975516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).