N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide

C15H22N2O2 — CID 4963866

IUPACN-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide
SMILESC=COCCCNCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-19-9-5-8-16-11-15(18)17-14-7-6-12(2)13(3)10-14/h4,6-7,10,16H,1,5,8-9,11H2,2-3H3,(H,17,18)
InChIKeyPPGKULVSCSUKCR-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.38
Rot. Bonds8

About N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide

N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide (PubChem CID 4963866) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide
PubChem CID4963866
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide
SMILESC=COCCCNCC(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-4-19-9-5-8-16-11-15(18)17-14-7-6-12(2)13(3)10-14/h4,6-7,10,16H,1,5,8-9,11H2,2-3H3,(H,17,18)
InChIKeyPPGKULVSCSUKCR-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylamino)-N-(3,4-dimethylphenyl)acetamide
CID 54815382
3-[[2-(3,4-dimethylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466525
N-[5-[[2-(3-methoxypropylamino)acetyl]amino]-2-methylphenyl]propanamide
CID 54829023
N-(3,4-dimethylphenyl)-4-(methylamino)butanamide
CID 60842744
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
CID 54829274
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
4-ethenoxybutyl N-[4-(4-ethenoxybutoxycarbonylamino)-2-methylphenyl]carbamate
CID 59319780
N-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-(3,4-dimethylphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821243
N-(4-methoxy-3-methylphenyl)-2-(prop-2-enylamino)acetamide
CID 79280189
N-(4-bromo-3-methylphenyl)-2-(pentylamino)acetamide
CID 109005999
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide (CID 4963866) is N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide is C=COCCCNCC(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide?
The InChIKey is PPGKULVSCSUKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-9-5-8-16-11-15(18)17-14-7-6-12(2)13(3)10-14/h4,6-7,10,16H,1,5,8-9,11H2,2-3H3,(H,17,18).
What are the key properties of N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide?
N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide has a molecular weight of 262.35 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(3-ethenoxypropylamino)acetamide is sourced from PubChem (CID 4963866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).