N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide

C14H29N3O — CID 63142451

IUPACN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(CN(C)C)C(C)C)CCNC1
InChIInChI=1S/C14H29N3O/c1-6-14(7-8-15-10-14)13(18)16-12(11(2)3)9-17(4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyROOZGEVVFOKKRI-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.08
Rot. Bonds6

About N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide

N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63142451) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63142451
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(CN(C)C)C(C)C)CCNC1
InChIInChI=1S/C14H29N3O/c1-6-14(7-8-15-10-14)13(18)16-12(11(2)3)9-17(4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18)
InChIKeyROOZGEVVFOKKRI-UHFFFAOYSA-N
XLogP1.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethoxy-3-methylbutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 114113787
N-[1-(dimethylamino)propan-2-yl]-4-ethylpiperidine-4-carboxamide
CID 82939518
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
3-ethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrolidine-3-carboxamide
CID 102905966
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
N-[(1R)-1-cycloheptylethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81391921
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139450
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
N-tert-butyl-3-ethylpyrrolidine-3-carboxamide
CID 63140815

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide (CID 63142451) is N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NC(CN(C)C)C(C)C)CCNC1.
What is the InChIKey of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is ROOZGEVVFOKKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-14(7-8-15-10-14)13(18)16-12(11(2)3)9-17(4)5/h11-12,15H,6-10H2,1-5H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide?
N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-methylbutan-2-yl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63142451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).