1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide

C17H29N3O2 — CID 3222720

IUPAC1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1(C(=O)NC2CC2)CCCCC1
InChIInChI=1S/C17H29N3O2/c21-15(18-14-9-10-14)17(11-5-2-6-12-17)20-16(22)19-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,18,21)(H2,19,20,22)
InChIKeyKQLWJRVTRKASMF-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.60
Rot. Bonds4

About 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide

1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide (PubChem CID 3222720) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide
PubChem CID3222720
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide
SMILESO=C(NC1CCCCC1)NC1(C(=O)NC2CC2)CCCCC1
InChIInChI=1S/C17H29N3O2/c21-15(18-14-9-10-14)17(11-5-2-6-12-17)20-16(22)19-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,18,21)(H2,19,20,22)
InChIKeyKQLWJRVTRKASMF-UHFFFAOYSA-N
XLogP2.60
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide?
The IUPAC name of 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide (CID 3222720) is 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide?
The canonical SMILES for 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide is O=C(NC1CCCCC1)NC1(C(=O)NC2CC2)CCCCC1.
What is the InChIKey of 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide?
The InChIKey is KQLWJRVTRKASMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-15(18-14-9-10-14)17(11-5-2-6-12-17)20-16(22)19-13-7-3-1-4-8-13/h13-14H,1-12H2,(H,18,21)(H2,19,20,22).
What are the key properties of 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide?
1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylcarbamoylamino)-N-cyclopropylcyclohexane-1-carboxamide is sourced from PubChem (CID 3222720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).