2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide

C11H16N2O — CID 81360481

IUPAC2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc([C@H](C)NC(=O)CN)c1
InChIInChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)9(2)13-11(14)7-12/h3-6,9H,7,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyPHLDMBDULLGJQY-VIFPVBQESA-N
MW192.26 g/mol
LogP1.13
Rot. Bonds3

About 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide

2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide (PubChem CID 81360481) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
PubChem CID81360481
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
SMILESCc1cccc([C@H](C)NC(=O)CN)c1
InChIInChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)9(2)13-11(14)7-12/h3-6,9H,7,12H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyPHLDMBDULLGJQY-VIFPVBQESA-N
XLogP1.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81360634
4-amino-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360738
4-amino-N-[(1R)-1-(3-methylphenyl)ethyl]pentanamide
CID 81361161
3-chloro-N-[(1R)-1-(3-methylphenyl)ethyl]propanamide
CID 81361298
4-[[(1R)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 81363109
2-amino-N-(1-phenylethyl)acetamide
CID 10631169
ethyl 4-[[(1S)-1-(3-methylphenyl)ethyl]amino]-4-oxobutanoate
CID 81363588
(2S)-2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]propanamide
CID 81361090
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
2-hydroxyethyl N-[(1S)-1-(3-methylphenyl)ethyl]carbamate
CID 81361011
2-(cyclopropylmethylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide
CID 81361527
5-amino-2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]pentanamide
CID 113441068

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide (CID 81360481) is 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide is Cc1cccc([C@H](C)NC(=O)CN)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
The InChIKey is PHLDMBDULLGJQY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-4-3-5-10(6-8)9(2)13-11(14)7-12/h3-6,9H,7,12H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide?
2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide has a molecular weight of 192.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-(3-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 81360481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).