N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide

C12H21N3O — CID 62854021

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-3-14-9-10(2)12(16)15(8-4-7-13)11-5-6-11/h10-11,14H,3-6,8-9H2,1-2H3
InChIKeyUBAQMZVNHCNPNR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.14
Rot. Bonds7

About N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide

N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide (PubChem CID 62854021) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
PubChem CID62854021
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)N(CCC#N)C1CC1
InChIInChI=1S/C12H21N3O/c1-3-14-9-10(2)12(16)15(8-4-7-13)11-5-6-11/h10-11,14H,3-6,8-9H2,1-2H3
InChIKeyUBAQMZVNHCNPNR-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62851812
(2S,3S)-2-amino-N-(2-cyanoethyl)-N-cyclopropyl-3-methylpentanamide
CID 61157435
2-(aminomethyl)-N-(2-cyanoethyl)-N-cyclopropyl-3-methylbutanamide
CID 65227520
2-acetamido-N-(2-cyanoethyl)-N-cyclopropyl-3-sulfanylpropanamide
CID 107769334
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61040136
4-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 80541763
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
2-[[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]methyl]pentanoic acid
CID 65221185
N-(2-cyanoethyl)-N-cyclopropyl-2-phenylbutanamide
CID 54997695
(2S)-2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-3-methylpentanoic acid
CID 54997515
2-[[2-cyanoethyl(cyclopropyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79801677
N-(2-cyanoethyl)-N-cyclopropyl-2-(prop-2-ynylamino)acetamide
CID 79286595

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide (CID 62854021) is N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)N(CCC#N)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide?
The InChIKey is UBAQMZVNHCNPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-14-9-10(2)12(16)15(8-4-7-13)11-5-6-11/h10-11,14H,3-6,8-9H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62854021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).