N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide

C18H24N2O3 — CID 166420370

IUPACN-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)NC(C)C2(O)CCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-3-16(21)20-15-8-5-14(6-9-15)7-10-17(22)19-13(2)18(23)11-4-12-18/h3,5-6,8-9,13,23H,1,4,7,10-12H2,2H3,(H,19,22)(H,20,21)
InChIKeyPCYBPXPLTDEXMC-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.16
Rot. Bonds7

About N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide

N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide (PubChem CID 166420370) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
PubChem CID166420370
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)NC(C)C2(O)CCC2)cc1
InChIInChI=1S/C18H24N2O3/c1-3-16(21)20-15-8-5-14(6-9-15)7-10-17(22)19-13(2)18(23)11-4-12-18/h3,5-6,8-9,13,23H,1,4,7,10-12H2,2H3,(H,19,22)(H,20,21)
InChIKeyPCYBPXPLTDEXMC-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420251
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 167861290
[3-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]phenyl]carbamic acid
CID 138682756
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422115
3-[4-(prop-2-enoylamino)phenyl]-N-(3-propylsulfanylphenyl)propanamide
CID 166422128
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359
N-propan-2-yl-1-[[2-[3-(prop-2-enoylamino)phenyl]acetyl]amino]cyclohexane-1-carboxamide
CID 166421657
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166421893
N-[3-(2,2-difluoroethoxy)phenyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422007
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422102
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The IUPAC name of N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide (CID 166420370) is N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide.
What is the SMILES notation for N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The canonical SMILES for N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide is C=CC(=O)Nc1ccc(CCC(=O)NC(C)C2(O)CCC2)cc1.
What is the InChIKey of N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
The InChIKey is PCYBPXPLTDEXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-16(21)20-15-8-5-14(6-9-15)7-10-17(22)19-13(2)18(23)11-4-12-18/h3,5-6,8-9,13,23H,1,4,7,10-12H2,2H3,(H,19,22)(H,20,21).
What are the key properties of N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide?
N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-hydroxycyclobutyl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide is sourced from PubChem (CID 166420370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).