N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide

C13H25N3O2 — CID 63138504

IUPACN-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(N)=O)C(C)C)CCNC1
InChIInChI=1S/C13H25N3O2/c1-4-5-13(6-7-15-9-13)12(18)16(10(2)3)8-11(14)17/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyYSUFOSZUFSHITO-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.49
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide

N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide (PubChem CID 63138504) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
PubChem CID63138504
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)N(CC(N)=O)C(C)C)CCNC1
InChIInChI=1S/C13H25N3O2/c1-4-5-13(6-7-15-9-13)12(18)16(10(2)3)8-11(14)17/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyYSUFOSZUFSHITO-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-amino-2-oxoethyl)-3-propylpyrrolidine-3-carboxamide
CID 63142003
N-pentyl-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63144012
N-(1-hydroxypropan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 104551752
methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
N-(3-hydroxypropyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128773
N-(3,3-dimethylbutan-2-yl)-N-methyl-3-propylpyrrolidine-3-carboxamide
CID 63143489
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
methyl 2-[methyl-(3-propylpyrrolidine-3-carbonyl)amino]acetate
CID 63143463
N-(2-cyanoethyl)-N-propan-2-yl-4-propylpiperidine-4-carboxamide
CID 63128127
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide (CID 63138504) is N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)N(CC(N)=O)C(C)C)CCNC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
The InChIKey is YSUFOSZUFSHITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-13(6-7-15-9-13)12(18)16(10(2)3)8-11(14)17/h10,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide?
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63138504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).