N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide

C15H29N3O2 — CID 106975742

IUPACN-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)C(=O)NC(C)(C)C)CCCN1
InChIInChI=1S/C15H29N3O2/c1-6-8-15(9-7-10-16-15)13(20)17-11(2)12(19)18-14(3,4)5/h11,16H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyCUSHDJMXOSAWCT-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.33
Rot. Bonds5

About N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide

N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide (PubChem CID 106975742) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
PubChem CID106975742
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
SMILESCCCC1(C(=O)NC(C)C(=O)NC(C)(C)C)CCCN1
InChIInChI=1S/C15H29N3O2/c1-6-8-15(9-7-10-16-15)13(20)17-11(2)12(19)18-14(3,4)5/h11,16H,6-10H2,1-5H3,(H,17,20)(H,18,19)
InChIKeyCUSHDJMXOSAWCT-UHFFFAOYSA-N
XLogP1.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide
CID 106975744
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 112702823
(2S)-3,3-dimethyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974844
2-methyl-6-[(2-propylpyrrolidine-2-carbonyl)amino]heptanoic acid
CID 106975363
N-[1-(2,4-dichlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974134
N-(2,3-dimethylbutyl)-2-propylpyrrolidine-2-carboxamide
CID 106975317
N-(1-methoxybutan-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975300
N-[1-(2-fluorophenyl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974513
N-[1-(5-chlorothiophen-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974390
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975724
N-(2,2-dimethoxyethyl)-2-propylpyrrolidine-2-carboxamide
CID 106974916
4-methylsulfonyl-2-[(2-propylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 106974810

Frequently Asked Questions

What is the IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide (CID 106975742) is N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide is CCCC1(C(=O)NC(C)C(=O)NC(C)(C)C)CCCN1.
What is the InChIKey of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide?
The InChIKey is CUSHDJMXOSAWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-8-15(9-7-10-16-15)13(20)17-11(2)12(19)18-14(3,4)5/h11,16H,6-10H2,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide?
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(tert-butylamino)-1-oxopropan-2-yl]-2-propylpyrrolidine-2-carboxamide is sourced from PubChem (CID 106975742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).