2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide

C15H27N3O2 — CID 71990729

IUPAC2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)NC1CC1C1CCCCC1
InChIInChI=1S/C15H27N3O2/c1-2-8-16-14(19)10-17-15(20)18-13-9-12(13)11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyPWTZWUCGKKPFTE-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.78
Rot. Bonds6

About 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide

2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide (PubChem CID 71990729) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide
PubChem CID71990729
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)NC1CC1C1CCCCC1
InChIInChI=1S/C15H27N3O2/c1-2-8-16-14(19)10-17-15(20)18-13-9-12(13)11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,19)(H2,17,18,20)
InChIKeyPWTZWUCGKKPFTE-UHFFFAOYSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-3-methyl-N-(4-methylcyclohexyl)pentanamide
CID 4222340
N-carbamoyl-2-[cyclopropyl-(4-methylcyclohexyl)amino]acetamide
CID 47280598
2-[(2-tert-butylcyclohexyl)amino]-N-(methylcarbamoyl)acetamide
CID 51109242
2-(cyclopropylcarbamoylamino)-N-(1-methylcycloheptyl)acetamide
CID 75369167
(2S)-2-(carbamoylamino)-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 94208897
2-[2-Cyclohexylethyl-[2-(methylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 51107249
2-[(2-methylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 47158750
2-[(2,6-dimethylcyclohexyl)carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71980801
2-(1-cyclohexylethylcarbamoylamino)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 71989850
N-(2-cyclohexylcyclopropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 72000173
N-(cyclopropylmethyl)-2-[[4-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
CID 75448551
N-ethyl-2-[[3-(trifluoromethyl)cyclohexyl]carbamoylamino]acetamide
CID 86993818

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide (CID 71990729) is 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide is CCCNC(=O)CNC(=O)NC1CC1C1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide?
The InChIKey is PWTZWUCGKKPFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-2-8-16-14(19)10-17-15(20)18-13-9-12(13)11-6-4-3-5-7-11/h11-13H,2-10H2,1H3,(H,16,19)(H2,17,18,20).
What are the key properties of 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide?
2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide has a molecular weight of 281.40 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylcyclopropyl)carbamoylamino]-N-propylacetamide is sourced from PubChem (CID 71990729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).