2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide

C14H20N2O2 — CID 81373008

IUPAC2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](C)NC(=O)CNC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-4-3-5-13(8-11)18-2)16-14(17)9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyORTOBMHZVZWARN-JTQLQIEISA-N
MW248.33 g/mol
LogP1.62
Rot. Bonds6

About 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide

2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 81373008) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID81373008
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc([C@H](C)NC(=O)CNC2CC2)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-4-3-5-13(8-11)18-2)16-14(17)9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyORTOBMHZVZWARN-JTQLQIEISA-N
XLogP1.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-[1-(3-methoxyphenyl)ethyl]acetamide;hydrochloride
CID 119706579
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 81372786
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
N-[1-(3-methoxyphenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876727
N-(cyclopropylmethyl)-2-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]acetamide
CID 81373337
2-(2-aminophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 61102582
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
2-(1-aminocyclopentyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide
CID 81373583
2-(cyclopropylamino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 54861999

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide (CID 81373008) is 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide is COc1cccc([C@H](C)NC(=O)CNC2CC2)c1.
What is the InChIKey of 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is ORTOBMHZVZWARN-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-4-3-5-13(8-11)18-2)16-14(17)9-15-12-6-7-12/h3-5,8,10,12,15H,6-7,9H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide?
2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[(1S)-1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 81373008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).