N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide

C12H24N2O — CID 120507495

IUPACN-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
SMILESC[C@@H](CN)NC(=O)CC1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-10(9-13)14-12(15)8-11-6-4-2-3-5-7-11/h10-11H,2-9,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyDNNLUWMJEYFLIV-JTQLQIEISA-N
MW212.34 g/mol
LogP1.81
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide

N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide (PubChem CID 120507495) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
PubChem CID120507495
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide
SMILESC[C@@H](CN)NC(=O)CC1CCCCCC1
InChIInChI=1S/C12H24N2O/c1-10(9-13)14-12(15)8-11-6-4-2-3-5-7-11/h10-11H,2-9,13H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyDNNLUWMJEYFLIV-JTQLQIEISA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-[(2-cyclohexylacetyl)amino]propanamide;hydrochloride
CID 120508255
N-(1-bromopropan-2-yl)-2-cycloheptylacetamide
CID 114459087
N-(1-aminobutan-2-yl)-2-cycloheptylacetamide
CID 114458426
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(1-cyanopropan-2-yl)-2-cyclohexylacetamide
CID 62089580
N-(1-amino-4-methylpentan-2-yl)-2-cyclopentylacetamide
CID 63753245
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2-cyclohexylacetamide
CID 55033618
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
6-[(2-cyclohexylacetyl)amino]-2-methylheptanoic acid
CID 65285536
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-(1-aminopropan-2-yl)-2-(3-ethoxycyclobutyl)acetamide
CID 103164943
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide (CID 120507495) is N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide is C[C@@H](CN)NC(=O)CC1CCCCCC1.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide?
The InChIKey is DNNLUWMJEYFLIV-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(9-13)14-12(15)8-11-6-4-2-3-5-7-11/h10-11H,2-9,13H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide?
N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide has a molecular weight of 212.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-cycloheptylacetamide is sourced from PubChem (CID 120507495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).