3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea

C14H27N3O2 — CID 68710672

IUPAC3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea
SMILESCCNC(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H27N3O2/c1-5-15-14(19)16(4)12(10-11(2)3)13(18)17-8-6-7-9-17/h11-12H,5-10H2,1-4H3,(H,15,19)/t12-/m0/s1
InChIKeyGAUVTRYYCMEABF-LBPRGKRZSA-N
MW269.39 g/mol
LogP1.68
Rot. Bonds5

About 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea

3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea (PubChem CID 68710672) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea.

Molecular Properties

Compound Name3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea
PubChem CID68710672
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea
SMILESCCNC(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H27N3O2/c1-5-15-14(19)16(4)12(10-11(2)3)13(18)17-8-6-7-9-17/h11-12H,5-10H2,1-4H3,(H,15,19)/t12-/m0/s1
InChIKeyGAUVTRYYCMEABF-LBPRGKRZSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
(2S)-2-hydroxy-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 71425574
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide
CID 169094211
tert-butyl N-[4-[[ethylamino(pyrrolidin-1-yl)methylidene]amino]butan-2-yl]-N-methylcarbamate
CID 111826130
(2S)-2,4-dimethylpentanoic acid;(2S)-2,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one
CID 161488087
N-[2-(ethylamino)-2-oxoethyl]-N-methylazepane-1-carboxamide
CID 116654823
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871
1,3-dimethyl-1-(1-oxo-1-piperazin-1-ylbutan-2-yl)urea
CID 82511592
2-ethyl-N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]butanamide
CID 110348621

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea?
The IUPAC name of 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea (CID 68710672) is 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea.
What is the SMILES notation for 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea?
The canonical SMILES for 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea is CCNC(=O)N(C)[C@@H](CC(C)C)C(=O)N1CCCC1.
What is the InChIKey of 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea?
The InChIKey is GAUVTRYYCMEABF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-5-15-14(19)16(4)12(10-11(2)3)13(18)17-8-6-7-9-17/h11-12H,5-10H2,1-4H3,(H,15,19)/t12-/m0/s1.
What are the key properties of 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea?
3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea has a molecular weight of 269.39 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea is sourced from PubChem (CID 68710672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).