N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide

C14H20N2O — CID 81379898

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C14H20N2O/c1-4-9-15-10-14(17)16-12(3)13-8-6-5-7-11(13)2/h4-8,12,15H,1,9-10H2,2-3H3,(H,16,17)/t12-/m1/s1
InChIKeyFGYHIESTGFXVHI-GFCCVEGCSA-N
MW232.33 g/mol
LogP1.95
Rot. Bonds6

About N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide

N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide (PubChem CID 81379898) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
PubChem CID81379898
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C14H20N2O/c1-4-9-15-10-14(17)16-12(3)13-8-6-5-7-11(13)2/h4-8,12,15H,1,9-10H2,2-3H3,(H,16,17)/t12-/m1/s1
InChIKeyFGYHIESTGFXVHI-GFCCVEGCSA-N
XLogP1.95
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
CID 81374930
N-[(1R)-1-(2-methylphenyl)ethyl]prop-2-enamide
CID 81374722
N-[1-(2-methylphenyl)ethyl]-3-oxobutanamide
CID 18071549
4-[[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]amino]butanoic acid
CID 43473634
N-[1-(2,6-difluorophenyl)ethyl]-2-(prop-2-enylamino)acetamide
CID 79286334
3-amino-N-[(1S)-1-(2-methylphenyl)ethyl]propanamide
CID 81380300
N-[1-(2-methylphenyl)ethyl]-2-phenylacetamide
CID 59082083
5-hydroxy-N-[(1R)-1-(2-methylphenyl)ethyl]pentanamide
CID 81380310
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
N-[2-[1-(2-methylphenyl)ethylamino]-2-oxoethyl]benzamide
CID 42910539
N-(1-phenylpropan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79278946
1-(2-methylphenyl)-2-(prop-2-enylamino)ethanone
CID 116589872

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide (CID 81379898) is N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N[C@H](C)c1ccccc1C.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
The InChIKey is FGYHIESTGFXVHI-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-9-15-10-14(17)16-12(3)13-8-6-5-7-11(13)2/h4-8,12,15H,1,9-10H2,2-3H3,(H,16,17)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide?
N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide has a molecular weight of 232.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 81379898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).