2-acetamido-6-(carbamoylamino)-N-methylhexanamide

C10H20N4O3 — CID 177168522

IUPAC2-acetamido-6-(carbamoylamino)-N-methylhexanamide
SMILESCNC(=O)C(CCCCNC(N)=O)NC(C)=O
InChIInChI=1S/C10H20N4O3/c1-7(15)14-8(9(16)12-2)5-3-4-6-13-10(11)17/h8H,3-6H2,1-2H3,(H,12,16)(H,14,15)(H3,11,13,17)
InChIKeyIYTFFRDPPQCOOJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.92
Rot. Bonds7

About 2-acetamido-6-(carbamoylamino)-N-methylhexanamide

2-acetamido-6-(carbamoylamino)-N-methylhexanamide (PubChem CID 177168522) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-acetamido-6-(carbamoylamino)-N-methylhexanamide.

Molecular Properties

Compound Name2-acetamido-6-(carbamoylamino)-N-methylhexanamide
PubChem CID177168522
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name2-acetamido-6-(carbamoylamino)-N-methylhexanamide
SMILESCNC(=O)C(CCCCNC(N)=O)NC(C)=O
InChIInChI=1S/C10H20N4O3/c1-7(15)14-8(9(16)12-2)5-3-4-6-13-10(11)17/h8H,3-6H2,1-2H3,(H,12,16)(H,14,15)(H3,11,13,17)
InChIKeyIYTFFRDPPQCOOJ-UHFFFAOYSA-N
XLogP-0.92
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
methyl 4-[[(5S)-5-acetamido-6-(methylamino)-6-oxohexyl]amino]-4-oxobutanoate
CID 161373398
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2R)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]propanoic acid
CID 5462243
(2R)-2,6-bis(carbamoylamino)hexanoic acid
CID 2512815
(2S)-6-acetamido-2-[[(2S)-2-[[(2S)-2,6-diacetamidohexanoyl]amino]-6-[(2-iodoacetyl)amino]hexanoyl]amino]hexanamide
CID 134131007
2,6-diacetamidohexanoate
CID 78438708
2-acetamido-N-[2-(carbamoylamino)ethyl]-3-sulfanylpropanamide
CID 107769803

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-6-(carbamoylamino)-N-methylhexanamide?
The IUPAC name of 2-acetamido-6-(carbamoylamino)-N-methylhexanamide (CID 177168522) is 2-acetamido-6-(carbamoylamino)-N-methylhexanamide.
What is the SMILES notation for 2-acetamido-6-(carbamoylamino)-N-methylhexanamide?
The canonical SMILES for 2-acetamido-6-(carbamoylamino)-N-methylhexanamide is CNC(=O)C(CCCCNC(N)=O)NC(C)=O.
What is the InChIKey of 2-acetamido-6-(carbamoylamino)-N-methylhexanamide?
The InChIKey is IYTFFRDPPQCOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-7(15)14-8(9(16)12-2)5-3-4-6-13-10(11)17/h8H,3-6H2,1-2H3,(H,12,16)(H,14,15)(H3,11,13,17).
What are the key properties of 2-acetamido-6-(carbamoylamino)-N-methylhexanamide?
2-acetamido-6-(carbamoylamino)-N-methylhexanamide has a molecular weight of 244.29 g/mol, XLogP of -0.92, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-6-(carbamoylamino)-N-methylhexanamide is sourced from PubChem (CID 177168522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).