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

C13H25N3O2 — CID 119313805

IUPAC3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
SMILESNCCC(=O)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c14-7-6-12(17)15-8-9-16-13(18)10-11-4-2-1-3-5-11/h11H,1-10,14H2,(H,15,17)(H,16,18)
InChIKeyACNDZRKDFBQBNT-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.54
Rot. Bonds7

About 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide

3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide (PubChem CID 119313805) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
PubChem CID119313805
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
SMILESNCCC(=O)NCCNC(=O)CC1CCCCC1
InChIInChI=1S/C13H25N3O2/c14-7-6-12(17)15-8-9-16-13(18)10-11-4-2-1-3-5-11/h11H,1-10,14H2,(H,15,17)(H,16,18)
InChIKeyACNDZRKDFBQBNT-UHFFFAOYSA-N
XLogP0.54
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
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

N-(3-aminopropyl)-2-cyclopentylacetamide
CID 24706958
(2R)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313821
(2S)-2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide
CID 119313801
2-cycloheptyl-N-[2-(propan-2-ylamino)ethyl]acetamide
CID 114458404
3-[(2-cyclopentylacetyl)amino]-N-propylpropanamide
CID 167068164
N-(3-amino-3-hydroxyiminopropyl)-2-cyclohexylacetamide
CID 76948274
N-(3-amino-3-hydroxyiminopropyl)-2-cycloheptylacetamide
CID 104928892
1-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]cyclohexane-1-carboxamide
CID 119313827
N-(4-amino-4-hydroxyiminobutyl)-2-cyclohexylacetamide
CID 76952873
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119945219
4-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]benzamide
CID 119313817
(2S,5R)-5-(aminomethyl)-N-[2-[(2-cyclohexylacetyl)amino]ethyl]oxolane-2-carboxamide;hydrochloride
CID 120791439

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide (CID 119313805) is 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide is NCCC(=O)NCCNC(=O)CC1CCCCC1.
What is the InChIKey of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
The InChIKey is ACNDZRKDFBQBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c14-7-6-12(17)15-8-9-16-13(18)10-11-4-2-1-3-5-11/h11H,1-10,14H2,(H,15,17)(H,16,18).
What are the key properties of 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide?
3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide has a molecular weight of 255.36 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]propanamide is sourced from PubChem (CID 119313805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).