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

C11H22N2O — CID 43113010

IUPACN-pentan-2-yl-2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(=O)NC(C)CCC
InChIInChI=1S/C11H22N2O/c1-5-7-9(3)13-11(14)10(4)12-8-6-2/h6,9-10,12H,2,5,7-8H2,1,3-4H3,(H,13,14)
InChIKeyKLCZGQPZZDCESR-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.46
Rot. Bonds7

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

N-pentan-2-yl-2-(prop-2-enylamino)propanamide (PubChem CID 43113010) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-pentan-2-yl-2-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-pentan-2-yl-2-(prop-2-enylamino)propanamide
PubChem CID43113010
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-pentan-2-yl-2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(=O)NC(C)CCC
InChIInChI=1S/C11H22N2O/c1-5-7-9(3)13-11(14)10(4)12-8-6-2/h6,9-10,12H,2,5,7-8H2,1,3-4H3,(H,13,14)
InChIKeyKLCZGQPZZDCESR-UHFFFAOYSA-N
XLogP1.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.46
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-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-pentan-2-ylpropanamide
CID 43420332
4-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]butanoic acid
CID 43473353
2-[2-(diethylamino)ethylamino]-N-pentan-2-ylpropanamide
CID 43112761
2-[2-[di(propan-2-yl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 43113241
2-(4-methylpentylamino)-N-pentan-2-ylpropanamide
CID 60745937
2-(1-cyclopropylethylamino)-N-pentan-2-ylpropanamide
CID 43420322
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentan-2-ylpropanamide
CID 115359436
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentan-2-ylpropanamide
CID 62976128
2-(hexan-2-ylamino)-N-pentan-2-ylpropanamide
CID 62201162
2-(3-methylpentan-3-ylamino)-N-pentan-2-ylpropanamide
CID 106328554

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-2-(prop-2-enylamino)propanamide?
The IUPAC name of N-pentan-2-yl-2-(prop-2-enylamino)propanamide (CID 43113010) is N-pentan-2-yl-2-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-pentan-2-yl-2-(prop-2-enylamino)propanamide?
The canonical SMILES for N-pentan-2-yl-2-(prop-2-enylamino)propanamide is C=CCNC(C)C(=O)NC(C)CCC.
What is the InChIKey of N-pentan-2-yl-2-(prop-2-enylamino)propanamide?
The InChIKey is KLCZGQPZZDCESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-7-9(3)13-11(14)10(4)12-8-6-2/h6,9-10,12H,2,5,7-8H2,1,3-4H3,(H,13,14).
What are the key properties of N-pentan-2-yl-2-(prop-2-enylamino)propanamide?
N-pentan-2-yl-2-(prop-2-enylamino)propanamide has a molecular weight of 198.31 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-2-(prop-2-enylamino)propanamide is sourced from PubChem (CID 43113010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).