(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide

C14H29N3O2 — CID 93373549

IUPAC(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC)CC(=O)NCCC
InChIInChI=1S/C14H29N3O2/c1-4-7-8-12(15)14(19)17(10-6-3)11-13(18)16-9-5-2/h12H,4-11,15H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyHHXIRWLHTLEIGY-LBPRGKRZSA-N
MW271.40 g/mol
LogP1.27
Rot. Bonds10

About (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide

(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide (PubChem CID 93373549) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
PubChem CID93373549
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide
SMILESCCCC[C@H](N)C(=O)N(CCC)CC(=O)NCCC
InChIInChI=1S/C14H29N3O2/c1-4-7-8-12(15)14(19)17(10-6-3)11-13(18)16-9-5-2/h12H,4-11,15H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKeyHHXIRWLHTLEIGY-LBPRGKRZSA-N
XLogP1.27
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenyl-N-propylacetamide
CID 61163404
2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylhexanamide
CID 54873029
3-amino-2-methyl-N-[2-oxo-2-(propylamino)ethyl]-3-phenyl-N-propylpropanamide
CID 119741246
(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide
CID 113304795
2-amino-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 62473775
2-[(2-bromoacetyl)-propylamino]-N-propylacetamide
CID 63679327
4-amino-5-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-5-oxopentanoic acid
CID 64890082
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpentanamide
CID 54916217
(2R)-2-amino-N,N-dibutylpentanamide
CID 103793770
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-amino-4-methoxy-N-methyl-N-[2-oxo-2-(propylamino)ethyl]butanamide
CID 62472504
3-(aminomethyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylpentanamide
CID 81087093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide?
The IUPAC name of (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide (CID 93373549) is (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide?
The canonical SMILES for (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide is CCCC[C@H](N)C(=O)N(CCC)CC(=O)NCCC.
What is the InChIKey of (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide?
The InChIKey is HHXIRWLHTLEIGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-4-7-8-12(15)14(19)17(10-6-3)11-13(18)16-9-5-2/h12H,4-11,15H2,1-3H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide?
(2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide has a molecular weight of 271.40 g/mol, XLogP of 1.27, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propylhexanamide is sourced from PubChem (CID 93373549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).