2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide

C11H21N3O2 — CID 115590449

IUPAC2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-4-7-14(8-10(15)13(2)3)11(16)12-9-5-6-9/h9H,4-8H2,1-3H3,(H,12,16)
InChIKeyUSYBGCCHXXTRSC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.66
Rot. Bonds5

About 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide

2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide (PubChem CID 115590449) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
PubChem CID115590449
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)NC1CC1
InChIInChI=1S/C11H21N3O2/c1-4-7-14(8-10(15)13(2)3)11(16)12-9-5-6-9/h9H,4-8H2,1-3H3,(H,12,16)
InChIKeyUSYBGCCHXXTRSC-UHFFFAOYSA-N
XLogP0.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminoethyl)-3-cyclopropyl-1-propylurea
CID 62698156
2-(cyclopentylamino)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 54916119
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
CID 55032022
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661
1-butyl-3-cyclopentyl-1-propylurea
CID 108902721
3-cyclobutyl-1-propyl-1-(2,2,2-trifluoroethyl)urea
CID 116655133
2-[(3,4-dimethylcyclohexyl)carbamoyl-propylamino]acetic acid
CID 64741185
3-cyclopropyl-1-(piperidin-4-ylmethyl)-1-propylurea
CID 79721029
2-[acetyl(propyl)amino]-N-cyclopropylacetamide
CID 113157902
2-[(3-methylsulfanylcyclopentyl)carbamoyl-propylamino]acetic acid
CID 114124070
1-(3-aminopropyl)-3-cyclobutyl-1-propylurea
CID 116658088
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide (CID 115590449) is 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)C(=O)NC1CC1.
What is the InChIKey of 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide?
The InChIKey is USYBGCCHXXTRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-7-14(8-10(15)13(2)3)11(16)12-9-5-6-9/h9H,4-8H2,1-3H3,(H,12,16).
What are the key properties of 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide?
2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide has a molecular weight of 227.31 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylcarbamoyl(propyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 115590449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).