2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide

C12H23N3O3 — CID 169244537

IUPAC2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCCCCC(NC=O)C(=O)NCC=O
InChIInChI=1S/C12H23N3O3/c1-10(2)13-6-4-3-5-11(15-9-17)12(18)14-7-8-16/h8-11,13H,3-7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyIUOINBRQPNJUTI-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.42
Rot. Bonds11

About 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide

2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide (PubChem CID 169244537) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide.

Molecular Properties

Compound Name2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide
PubChem CID169244537
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide
SMILESCC(C)NCCCCC(NC=O)C(=O)NCC=O
InChIInChI=1S/C12H23N3O3/c1-10(2)13-6-4-3-5-11(15-9-17)12(18)14-7-8-16/h8-11,13H,3-7H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyIUOINBRQPNJUTI-UHFFFAOYSA-N
XLogP-0.42
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(methylamino)-2-(2-methylhydrazinyl)-N-(2-oxoethyl)hexanamide
CID 166964502
2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
CID 171621363
2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138021
ethane;2-methyl-6-(propan-2-ylamino)hexanamide
CID 166138020
3-[[2-oxo-3-(propan-2-ylamino)propyl]amino]-7-(propan-2-ylamino)heptan-2-one
CID 157112180
(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
(2S)-2-amino-N-propan-2-yl-6-(propan-2-ylamino)hexanamide
CID 147186215
2-methyl-4-oxo-N-(2-oxoethyl)butanamide
CID 138599204
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
8-methyl-N-[7-oxo-7-[[1-oxo-1,7-bis(propan-2-ylamino)heptan-2-yl]amino]-6-(propan-2-ylamino)heptyl]nonanamide
CID 165380224
(2S)-4-methyl-2-(methylamino)-N-(2-oxoethyl)pentanamide
CID 155260422
(2S)-2-amino-N-[4-(propan-2-ylamino)butyl]hexanamide
CID 167615708

Frequently Asked Questions

What is the IUPAC name of 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide?
The IUPAC name of 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide (CID 169244537) is 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide.
What is the SMILES notation for 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide?
The canonical SMILES for 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide is CC(C)NCCCCC(NC=O)C(=O)NCC=O.
What is the InChIKey of 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide?
The InChIKey is IUOINBRQPNJUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-10(2)13-6-4-3-5-11(15-9-17)12(18)14-7-8-16/h8-11,13H,3-7H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide?
2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide has a molecular weight of 257.33 g/mol, XLogP of -0.42, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-N-(2-oxoethyl)-6-(propan-2-ylamino)hexanamide is sourced from PubChem (CID 169244537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).