N-tert-butyl-2-methyl-N-propylprop-2-enamide

C11H21NO — CID 157254110

IUPACN-tert-butyl-2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)N(CCC)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-8-12(11(4,5)6)10(13)9(2)3/h2,7-8H2,1,3-6H3
InChIKeyAWRKNYYTQXZUDP-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.60
Rot. Bonds3

About N-tert-butyl-2-methyl-N-propylprop-2-enamide

N-tert-butyl-2-methyl-N-propylprop-2-enamide (PubChem CID 157254110) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-N-propylprop-2-enamide
PubChem CID157254110
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-tert-butyl-2-methyl-N-propylprop-2-enamide
SMILESC=C(C)C(=O)N(CCC)C(C)(C)C
InChIInChI=1S/C11H21NO/c1-7-8-12(11(4,5)6)10(13)9(2)3/h2,7-8H2,1,3-6H3
InChIKeyAWRKNYYTQXZUDP-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.60
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

N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
CID 167496329
2-methyl-N,N'-dipropylprop-2-enehydrazide
CID 87503830
2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
CID 113166139
2-[2-methylprop-2-enoyl(propyl)amino]acetic acid
CID 150716487
N-(2-methoxyethyl)-2-methyl-N-propylprop-2-enamide
CID 91054907
1-ethyl-3-[2-methylprop-2-enoyl(propyl)amino]urea
CID 175604171
2-methyl-N-pentylprop-2-enehydrazide
CID 87197020
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N,N-bis(ethylsulfanyl)-2-methylprop-2-enamide
CID 20554156
2-methyl-N-propyl-N-(2,2,3,3-tetrafluoropropyl)prop-2-enamide
CID 89314896
N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
CID 174766314
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-N-propylprop-2-enamide?
The IUPAC name of N-tert-butyl-2-methyl-N-propylprop-2-enamide (CID 157254110) is N-tert-butyl-2-methyl-N-propylprop-2-enamide.
What is the SMILES notation for N-tert-butyl-2-methyl-N-propylprop-2-enamide?
The canonical SMILES for N-tert-butyl-2-methyl-N-propylprop-2-enamide is C=C(C)C(=O)N(CCC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-N-propylprop-2-enamide?
The InChIKey is AWRKNYYTQXZUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-7-8-12(11(4,5)6)10(13)9(2)3/h2,7-8H2,1,3-6H3.
What are the key properties of N-tert-butyl-2-methyl-N-propylprop-2-enamide?
N-tert-butyl-2-methyl-N-propylprop-2-enamide has a molecular weight of 183.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-N-propylprop-2-enamide is sourced from PubChem (CID 157254110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).