N-propan-2-yl-N-propylprop-2-enamide

C9H17NO — CID 43616586

IUPACN-propan-2-yl-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C(C)C
InChIInChI=1S/C9H17NO/c1-5-7-10(8(3)4)9(11)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyZSSPOSBQSXMHQB-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.82
Rot. Bonds4

About N-propan-2-yl-N-propylprop-2-enamide

N-propan-2-yl-N-propylprop-2-enamide (PubChem CID 43616586) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-propan-2-yl-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-propan-2-yl-N-propylprop-2-enamide
PubChem CID43616586
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-propan-2-yl-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)C(C)C
InChIInChI=1S/C9H17NO/c1-5-7-10(8(3)4)9(11)6-2/h6,8H,2,5,7H2,1,3-4H3
InChIKeyZSSPOSBQSXMHQB-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[propan-2-yl(prop-2-enoyl)amino]propanoyl chloride
CID 123230357
propan-2-yl 2-[prop-2-enoyl(propyl)amino]propanoate
CID 134486326
N-[3-[prop-2-enoyl(propyl)amino]butyl]prop-2-enamide
CID 134438406
N-(methylideneamino)-N-propylprop-2-enamide
CID 145450395
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
N,N-di(propan-2-yl)prop-2-enamide;ruthenium
CID 90254621
N-propan-2-yl-N-prop-1-en-2-ylpropan-1-amine
CID 134179329
N,N',N'-tripropylprop-2-enehydrazide
CID 87503910
N-prop-2-enoyl-N-propylpropanamide
CID 143653418
N-[2-(dipropylamino)propyl]prop-2-enamide
CID 146592668
3-chloro-N-propan-2-yl-N-propylpropanamide
CID 43269467
2-ethoxy-N-propan-2-yl-N-propylacetamide
CID 64590968

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-propylprop-2-enamide?
The IUPAC name of N-propan-2-yl-N-propylprop-2-enamide (CID 43616586) is N-propan-2-yl-N-propylprop-2-enamide.
What is the SMILES notation for N-propan-2-yl-N-propylprop-2-enamide?
The canonical SMILES for N-propan-2-yl-N-propylprop-2-enamide is C=CC(=O)N(CCC)C(C)C.
What is the InChIKey of N-propan-2-yl-N-propylprop-2-enamide?
The InChIKey is ZSSPOSBQSXMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7-10(8(3)4)9(11)6-2/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of N-propan-2-yl-N-propylprop-2-enamide?
N-propan-2-yl-N-propylprop-2-enamide has a molecular weight of 155.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-propylprop-2-enamide is sourced from PubChem (CID 43616586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).