N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide

C18H24N2O3 — CID 172888624

IUPACN-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide
SMILESC=CC(=O)N1CC(C)(CNC(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C18H24N2O3/c1-5-16(21)20-11-18(4,12-20)10-19-17(22)14-7-6-8-15(9-14)23-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,19,22)
InChIKeyYRFITDBVQDECPC-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.24
Rot. Bonds6

About N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide

N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide (PubChem CID 172888624) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide
PubChem CID172888624
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide
SMILESC=CC(=O)N1CC(C)(CNC(=O)c2cccc(OC(C)C)c2)C1
InChIInChI=1S/C18H24N2O3/c1-5-16(21)20-11-18(4,12-20)10-19-17(22)14-7-6-8-15(9-14)23-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,19,22)
InChIKeyYRFITDBVQDECPC-UHFFFAOYSA-N
XLogP2.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3-Dimethyl-butyl)-4-hexyloxy-benzamide
CID 10979664
4-ethoxy-N-(2-methylpropyl)benzamide
CID 222006
Benzamide, N-tetrahydrofurfuryl-3-methoxy-
CID 531836
3-Methoxy-N-piperidin-4-yl-benzamide
CID 1445157
3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
Morpholino(3-phenoxyphenyl)methanone
CID 6465484
3-methoxy-N-[2-(morpholin-4-yl)ethyl]benzamide
CID 3118713
3-((1-Benzylpiperidin-4-yl)oxy)benzamide
CID 52946209
3-(difluoromethoxy)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2105607
3-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]benzamide
CID 2462542
N-{[1-(dimethylamino)cyclohexyl]methyl}-4-(propan-2-yloxy)benzamide
CID 2559755
3-ethoxy-N-(2-methyl-1-phenylpropyl)benzamide
CID 2974778

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide (CID 172888624) is N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide is C=CC(=O)N1CC(C)(CNC(=O)c2cccc(OC(C)C)c2)C1.
What is the InChIKey of N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
The InChIKey is YRFITDBVQDECPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-5-16(21)20-11-18(4,12-20)10-19-17(22)14-7-6-8-15(9-14)23-13(2)3/h5-9,13H,1,10-12H2,2-4H3,(H,19,22).
What are the key properties of N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide?
N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide has a molecular weight of 316.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-prop-2-enoylazetidin-3-yl)methyl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 172888624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).