N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide

C16H18N2O3 — CID 87236086

IUPACN-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccc(N2CCOCC2=O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-3-4-5-15(19)17-13-6-7-14(12(2)10-13)18-8-9-21-11-16(18)20/h1,6-7,10H,4-5,8-9,11H2,2H3,(H,17,19)
InChIKeyKZCLWZMLRBJQQN-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.71
Rot. Bonds4

About N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide

N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide (PubChem CID 87236086) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide.

Molecular Properties

Compound NameN-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
PubChem CID87236086
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide
SMILESC#CCCC(=O)Nc1ccc(N2CCOCC2=O)c(C)c1
InChIInChI=1S/C16H18N2O3/c1-3-4-5-15(19)17-13-6-7-14(12(2)10-13)18-8-9-21-11-16(18)20/h1,6-7,10H,4-5,8-9,11H2,2H3,(H,17,19)
InChIKeyKZCLWZMLRBJQQN-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-but-3-ynyldiazirin-3-yl)-N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 154771793
(2R)-2-[(4-ethynylphenyl)carbamoylamino]-3-methoxy-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 10253222
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024
5-ethynyl-N-[3-[[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]-1,1-dioxothietan-3-yl]thiophene-2-carboxamide
CID 11663123
(2R,4R)-1-N-(4-ethynylphenyl)-4-hydroxy-2-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pyrrolidine-1,2-dicarboxamide
CID 11248225
tert-butyl (2R)-2-[amino(methoxy)methyl]-2-methyl-3-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropanoate
CID 69052951
(5-ethynylthiophen-2-yl) N-[3-methoxy-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]carbamate
CID 91484760
5-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 43347098
N-(3-methyl-4-morpholin-4-ylphenyl)propanamide
CID 50896207
N-[3-dimethoxyphosphoryl-1-[3-methyl-4-(3-oxomorpholin-4-yl)anilino]-1-oxopropan-2-yl]-5-ethynylthiophene-2-carboxamide
CID 11511934
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-4-(2H-tetrazol-5-yl)butanamide
CID 69353849
4-[(5-chlorothiophene-2-carbonyl)amino]-2-methyl-N'-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]hexanediamide
CID 68883498

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide?
The IUPAC name of N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide (CID 87236086) is N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide.
What is the SMILES notation for N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide?
The canonical SMILES for N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide is C#CCCC(=O)Nc1ccc(N2CCOCC2=O)c(C)c1.
What is the InChIKey of N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide?
The InChIKey is KZCLWZMLRBJQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-4-5-15(19)17-13-6-7-14(12(2)10-13)18-8-9-21-11-16(18)20/h1,6-7,10H,4-5,8-9,11H2,2H3,(H,17,19).
What are the key properties of N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide?
N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide has a molecular weight of 286.33 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]pent-4-ynamide is sourced from PubChem (CID 87236086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).