N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide

C12H21N3O2 — CID 112623674

IUPACN-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
SMILESCC(NCC(=O)NCC1CC1)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-8(12(17)15-10-4-5-10)13-7-11(16)14-6-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyWJBLOAGRUGHPNR-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.23
Rot. Bonds7

About N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide

N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide (PubChem CID 112623674) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
PubChem CID112623674
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
SMILESCC(NCC(=O)NCC1CC1)C(=O)NC1CC1
InChIInChI=1S/C12H21N3O2/c1-8(12(17)15-10-4-5-10)13-7-11(16)14-6-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17)
InChIKeyWJBLOAGRUGHPNR-UHFFFAOYSA-N
XLogP-0.23
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
N-cyclopropyl-2-[(4-hydroxycyclohexyl)methylamino]propanamide
CID 114147898
N-cyclopentyl-2-(cyclopropylmethylamino)propanamide
CID 43116561
N-cyclohexyl-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43398679
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-(cyclopropylmethyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61469190
2-(butan-2-ylamino)-N-(cyclohexylmethyl)acetamide
CID 60648633
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
CID 43420338
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
N-(cyclobutylmethyl)-2-(dicyclopentylmethylamino)acetamide
CID 75444208
N-cyclohexyl-2-[(4-methylcyclohexyl)methylamino]propanamide
CID 61490835
2-[(2-anilino-2-oxoethyl)amino]-N-cyclopropylpropanamide
CID 112696312

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide (CID 112623674) is N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide is CC(NCC(=O)NCC1CC1)C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is WJBLOAGRUGHPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(12(17)15-10-4-5-10)13-7-11(16)14-6-9-2-3-9/h8-10,13H,2-7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide?
N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 112623674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).