2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide

C12H24N2O — CID 43372164

IUPAC2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)CC(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-13-12(15)11(5)14-10(4)8-9(2)3/h6,9-11,14H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyDUCJMUPQCJPWJP-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.70
Rot. Bonds7

About 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide

2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide (PubChem CID 43372164) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide
PubChem CID43372164
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(C)CC(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-13-12(15)11(5)14-10(4)8-9(2)3/h6,9-11,14H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyDUCJMUPQCJPWJP-UHFFFAOYSA-N
XLogP1.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N,3-dimethyl-2-(prop-2-enoylamino)butanamide
CID 90734779
N-allyl-N'-(2-methylcyclohexyl)ethanediamide
CID 2954922
(2S)-2-amino-N-(cyclohexylmethyl)-N-prop-2-enylpropanamide
CID 119324158
(2S)-2-acetamido-N-[(E)-3-bromoprop-2-enyl]-3-methylbutanamide
CID 165618986
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
N-prop-2-enyl-2-[3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 53515058
N-(1-cyclopropylethyl)-2-(prop-2-enylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 78914472
(2S)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 95152662
(2R)-N-prop-2-enyl-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 95152663
(2R)-N-prop-2-enyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836820
(2S)-N-prop-2-enyl-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 100836821
N-prop-2-enyl-2-(5,5,5-trifluoropentylamino)propanamide
CID 115496276

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide (CID 43372164) is 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC(C)CC(C)C.
What is the InChIKey of 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide?
The InChIKey is DUCJMUPQCJPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-7-13-12(15)11(5)14-10(4)8-9(2)3/h6,9-11,14H,1,7-8H2,2-5H3,(H,13,15).
What are the key properties of 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide?
2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide has a molecular weight of 212.34 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylamino)-N-prop-2-enylpropanamide is sourced from PubChem (CID 43372164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).