2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine

C14H30N4O3 — CID 178090758

IUPAC2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine
SMILESCC(=O)NC(CCCCN)C(=O)NC(C)C=O.CCNC
InChIInChI=1S/C11H21N3O3.C3H9N/c1-8(7-15)13-11(17)10(14-9(2)16)5-3-4-6-12;1-3-4-2/h7-8,10H,3-6,12H2,1-2H3,(H,13,17)(H,14,16);4H,3H2,1-2H3
InChIKeyFAQJSWLEBKVYTR-UHFFFAOYSA-N
MW302.42 g/mol
LogP-0.45
Rot. Bonds9

About 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine

2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine (PubChem CID 178090758) has the molecular formula C14H30N4O3 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine.

Molecular Properties

Compound Name2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine
PubChem CID178090758
Molecular FormulaC14H30N4O3
Molecular Weight302.42 g/mol
Exact Mass302.23
IUPAC Name2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine
SMILESCC(=O)NC(CCCCN)C(=O)NC(C)C=O.CCNC
InChIInChI=1S/C11H21N3O3.C3H9N/c1-8(7-15)13-11(17)10(14-9(2)16)5-3-4-6-12;1-3-4-2/h7-8,10H,3-6,12H2,1-2H3,(H,13,17)(H,14,16);4H,3H2,1-2H3
InChIKeyFAQJSWLEBKVYTR-UHFFFAOYSA-N
XLogP-0.45
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine 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

(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 102073607
2-[2-[(2-acetamido-6-aminohexanoyl)amino]propanoylamino]propanoic acid
CID 4646439
(2R)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]propanoic acid;(2R)-2-aminopropanoic acid
CID 20637825
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoic acid
CID 102418288
(2S)-2-acetamido-6-aminohexanamide
CID 7021885
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-sulfanylpropanoic acid
CID 102595279
N-[(2S)-6-amino-1-oxohexan-2-yl]acetamide
CID 18642221
2-acetamido-6-aminohexanamide;hydrochloride
CID 74765100
(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-6-aminohexanoic acid
CID 134687092
(2S)-2-acetamido-6-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]hexanamide
CID 87731133
amino 2-acetamido-6-aminohexanoate
CID 89268103

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine?
The IUPAC name of 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine (CID 178090758) is 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine.
What is the SMILES notation for 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine?
The canonical SMILES for 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine is CC(=O)NC(CCCCN)C(=O)NC(C)C=O.CCNC.
What is the InChIKey of 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine?
The InChIKey is FAQJSWLEBKVYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3.C3H9N/c1-8(7-15)13-11(17)10(14-9(2)16)5-3-4-6-12;1-3-4-2/h7-8,10H,3-6,12H2,1-2H3,(H,13,17)(H,14,16);4H,3H2,1-2H3.
What are the key properties of 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine?
2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine has a molecular weight of 302.42 g/mol, XLogP of -0.45, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-amino-N-(1-oxopropan-2-yl)hexanamide;N-methylethanamine is sourced from PubChem (CID 178090758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).