6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane

C14H31N3O2 — CID 170713669

IUPAC6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
SMILESCC.CCC(=O)NC(CCCCN)C(=O)NC(C)C
InChIInChI=1S/C12H25N3O2.C2H6/c1-4-11(16)15-10(7-5-6-8-13)12(17)14-9(2)3;1-2/h9-10H,4-8,13H2,1-3H3,(H,14,17)(H,15,16);1-2H3
InChIKeyPHPRBZXDLCBNME-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.56
Rot. Bonds8

About 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane

6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane (PubChem CID 170713669) has the molecular formula C14H31N3O2 and a molecular weight of 273.42 g/mol. Its IUPAC name is 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane.

Molecular Properties

Compound Name6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
PubChem CID170713669
Molecular FormulaC14H31N3O2
Molecular Weight273.42 g/mol
Exact Mass273.24
IUPAC Name6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane
SMILESCC.CCC(=O)NC(CCCCN)C(=O)NC(C)C
InChIInChI=1S/C12H25N3O2.C2H6/c1-4-11(16)15-10(7-5-6-8-13)12(17)14-9(2)3;1-2/h9-10H,4-8,13H2,1-3H3,(H,14,17)(H,15,16);1-2H3
InChIKeyPHPRBZXDLCBNME-UHFFFAOYSA-N
XLogP1.56
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
N-(7-amino-2-oxoheptan-3-yl)propanamide;propanal
CID 91096311
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
2-amino-N-[1-oxo-1-(propan-2-ylamino)heptan-2-yl]heptanamide
CID 58871564
N-[6-amino-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxohexan-2-yl]tetradecanamide
CID 102528049
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid
CID 53323362
N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-2-(ethylamino)acetamide
CID 134583700
2-[(6-amino-2-methylhexanoyl)amino]-N-methylheptanamide
CID 134332050
N-[(4S)-8-amino-2-methyl-3-oxooctan-4-yl]-3-(propan-2-ylamino)propanamide
CID 156560378
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-(octadecanoylamino)hexanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoic acid
CID 44612560
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-N-[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]hexanamide
CID 56602231

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane?
The IUPAC name of 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane (CID 170713669) is 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane.
What is the SMILES notation for 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane?
The canonical SMILES for 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane is CC.CCC(=O)NC(CCCCN)C(=O)NC(C)C.
What is the InChIKey of 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane?
The InChIKey is PHPRBZXDLCBNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.C2H6/c1-4-11(16)15-10(7-5-6-8-13)12(17)14-9(2)3;1-2/h9-10H,4-8,13H2,1-3H3,(H,14,17)(H,15,16);1-2H3.
What are the key properties of 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane?
6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane has a molecular weight of 273.42 g/mol, XLogP of 1.56, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(propanoylamino)-N-propan-2-ylhexanamide;ethane is sourced from PubChem (CID 170713669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).