(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide

C13H25N3O2 — CID 119313801

IUPAC(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(14)13(18)16-8-7-15-12(17)9-11-5-3-2-4-6-11/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyLNLQUCCZEKZLGS-JTQLQIEISA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds6

About (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide

(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide (PubChem CID 119313801) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
PubChem CID119313801
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
SMILESC[C@H](N)C(=O)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c1-10(14)13(18)16-8-7-15-12(17)9-11-5-3-2-4-6-11/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)/t10-/m0/s1
InChIKeyLNLQUCCZEKZLGS-JTQLQIEISA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
2-amino-N-(cyclohexylmethyl)propanamide
CID 43215382
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
2-amino-N-(cyclooctylmethyl)propanamide;hydrochloride
CID 119299452
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313805
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
(2S)-2-amino-N-(2-cyclobutylethyl)propanamide
CID 103797223
2-cyclohexyl-N-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]acetamide
CID 111127424
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120668147
N-(2-amino-4-methylpentyl)-2-cyclohexylacetamide
CID 107158692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
The IUPAC name of (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide (CID 119313801) is (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide is C[C@H](N)C(=O)NCCNC(=O)CC1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
The InChIKey is LNLQUCCZEKZLGS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(14)13(18)16-8-7-15-12(17)9-11-5-3-2-4-6-11/h10-11H,2-9,14H2,1H3,(H,15,17)(H,16,18)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 119313801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).