2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide

C15H27N3O2 — CID 143023563

IUPAC2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide
SMILESC/C(=C\CN(C)C(=O)C(N)C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(2)13(16)15(20)17(4)10-7-12(3)14(19)18-8-5-6-9-18/h7,11,13H,5-6,8-10,16H2,1-4H3/b12-7+
InChIKeySMJOMKIRXSUHNW-KPKJPENVSA-N
MW281.40 g/mol
LogP1.00
Rot. Bonds5

About 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide

2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide (PubChem CID 143023563) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide
PubChem CID143023563
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide
SMILESC/C(=C\CN(C)C(=O)C(N)C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C15H27N3O2/c1-11(2)13(16)15(20)17(4)10-7-12(3)14(19)18-8-5-6-9-18/h7,11,13H,5-6,8-10,16H2,1-4H3/b12-7+
InChIKeySMJOMKIRXSUHNW-KPKJPENVSA-N
XLogP1.00
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide;ethane;ethene;1-ethyl-2-[(Z)-prop-1-enyl]cyclopentene;methyl formate;propane
CID 143023562
N-[3-methyl-1-[methyl-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]amino]-1-oxobutan-2-yl]-1-propan-2-ylpiperidine-2-carboxamide
CID 142813330
2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide
CID 142876722
(E)-4-(dimethylamino)-2-methyl-1-(4-propan-2-ylpiperazin-1-yl)but-2-en-1-one
CID 164740043
(2S)-2-amino-N,3-dimethyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]butanamide
CID 96553466
(2S)-2-amino-N,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 66565934
3-iodo-2-methyl-1-pyrrolidin-1-ylprop-2-en-1-one
CID 173171873
2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
(2R)-2-amino-N-(cyclopropylmethyl)-N,3-dimethylbutanamide
CID 79013234

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide (CID 143023563) is 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide is C/C(=C\CN(C)C(=O)C(N)C(C)C)C(=O)N1CCCC1.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide?
The InChIKey is SMJOMKIRXSUHNW-KPKJPENVSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(2)13(16)15(20)17(4)10-7-12(3)14(19)18-8-5-6-9-18/h7,11,13H,5-6,8-10,16H2,1-4H3/b12-7+.
What are the key properties of 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide?
2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide has a molecular weight of 281.40 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[(E)-3-methyl-4-oxo-4-pyrrolidin-1-ylbut-2-enyl]butanamide is sourced from PubChem (CID 143023563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).