N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide

C13H25N3O2 — CID 106979756

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(C)C)CCNC1)C(=O)N(C)C
InChIInChI=1S/C13H25N3O2/c1-9(2)13(6-7-14-8-13)12(18)15-10(3)11(17)16(4)5/h9-10,14H,6-8H2,1-5H3,(H,15,18)
InChIKeyZZCCOSQRMVDYAM-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.22
Rot. Bonds4

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979756) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979756
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(NC(=O)C1(C(C)C)CCNC1)C(=O)N(C)C
InChIInChI=1S/C13H25N3O2/c1-9(2)13(6-7-14-8-13)12(18)15-10(3)11(17)16(4)5/h9-10,14H,6-8H2,1-5H3,(H,15,18)
InChIKeyZZCCOSQRMVDYAM-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981240
N-[(2R)-1-hydroxypropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107218541
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(4-hydroxy-3-methylbutan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981266
methyl 3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoate
CID 106980384
3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980275
(2S)-3-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980329
2-cyclopropyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 106980598
(2R)-4-methyl-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 106980494
N-(1-methylcyclobutyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981268
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
4-hydroxy-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 106980345

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979756) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(NC(=O)C1(C(C)C)CCNC1)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is ZZCCOSQRMVDYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)13(6-7-14-8-13)12(18)15-10(3)11(17)16(4)5/h9-10,14H,6-8H2,1-5H3,(H,15,18).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).