N-propan-2-yl-2-(prop-2-enylamino)propanamide

C9H18N2O — CID 43084813

IUPACN-propan-2-yl-2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-10-8(4)9(12)11-7(2)3/h5,7-8,10H,1,6H2,2-4H3,(H,11,12)
InChIKeyGAXGJWXGQIGCHU-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds5

About N-propan-2-yl-2-(prop-2-enylamino)propanamide

N-propan-2-yl-2-(prop-2-enylamino)propanamide (PubChem CID 43084813) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-propan-2-yl-2-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(prop-2-enylamino)propanamide
PubChem CID43084813
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-propan-2-yl-2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(=O)NC(C)C
InChIInChI=1S/C9H18N2O/c1-5-6-10-8(4)9(12)11-7(2)3/h5,7-8,10H,1,6H2,2-4H3,(H,11,12)
InChIKeyGAXGJWXGQIGCHU-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.68
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

N-pentan-2-yl-2-(prop-2-enylamino)propanamide
CID 43113010
2-ethyl-4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]but-2-enoic acid
CID 103262485
2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetic acid
CID 43466197
N-prop-2-enylpropan-2-amine
CID 520711
N-prop-2-enylpropan-2-amine
CID 159979595
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
CID 115406651
5-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]pentanoic acid
CID 103262467
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101
2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
(2R)-2-hydroxy-N-propan-2-ylbut-3-enamide
CID 170341446
2-(5-methylhexylamino)-N-propan-2-ylpropanamide
CID 115325548
4-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]butanamide
CID 60865224

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(prop-2-enylamino)propanamide?
The IUPAC name of N-propan-2-yl-2-(prop-2-enylamino)propanamide (CID 43084813) is N-propan-2-yl-2-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(prop-2-enylamino)propanamide?
The canonical SMILES for N-propan-2-yl-2-(prop-2-enylamino)propanamide is C=CCNC(C)C(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-(prop-2-enylamino)propanamide?
The InChIKey is GAXGJWXGQIGCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-6-10-8(4)9(12)11-7(2)3/h5,7-8,10H,1,6H2,2-4H3,(H,11,12).
What are the key properties of N-propan-2-yl-2-(prop-2-enylamino)propanamide?
N-propan-2-yl-2-(prop-2-enylamino)propanamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(prop-2-enylamino)propanamide is sourced from PubChem (CID 43084813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).