N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide

C12H25N3O2 — CID 88975780

IUPACN-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
SMILESCCNC(=O)C(CCCCNC)NC(=O)CC
InChIInChI=1S/C12H25N3O2/c1-4-11(16)15-10(12(17)14-5-2)8-6-7-9-13-3/h10,13H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCWZPJHAZOXMHOU-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds9

About N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide

N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide (PubChem CID 88975780) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide.

Molecular Properties

Compound NameN-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
PubChem CID88975780
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide
SMILESCCNC(=O)C(CCCCNC)NC(=O)CC
InChIInChI=1S/C12H25N3O2/c1-4-11(16)15-10(12(17)14-5-2)8-6-7-9-13-3/h10,13H,4-9H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyCWZPJHAZOXMHOU-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(5S)-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-[[3-(ethylamino)-3-oxopropyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide
CID 89221767
N-[8-(ethylcarbamoyl)-1,12-bis(methylamino)-6-oxododecan-5-yl]-5,9-bis(methylamino)-2-[4-(methylamino)butyl]-4-oxononanamide
CID 148819127
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
(2S)-5-(diaminomethylideneamino)-N-ethyl-2-(propanoylamino)pentanamide
CID 170521872
(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide
CID 167681648
2-[3-(methylamino)propanoylamino]-6-(propan-2-ylamino)-N-[2-(propan-2-ylamino)ethyl]hexanamide
CID 171621363
(3S)-3-(ethylamino)-7-(methylamino)heptan-2-one
CID 122647658
N-[5-(ethylamino)-6-oxoheptyl]-2-methyl-6-(methylamino)hexanamide
CID 90364828
(E)-N-[1-(hexadecylamino)-5-(methylamino)-1-oxopentan-2-yl]octadec-9-enamide
CID 59866760
tert-butyl N-[6-(ethylamino)-6-oxo-5-[(2-phosphanylacetyl)amino]hexyl]carbamate
CID 177045475
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
6-(methylamino)-2-(2-methylheptanoylamino)hexanoic acid
CID 118032738

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide?
The IUPAC name of N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide (CID 88975780) is N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide.
What is the SMILES notation for N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide?
The canonical SMILES for N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide is CCNC(=O)C(CCCCNC)NC(=O)CC.
What is the InChIKey of N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide?
The InChIKey is CWZPJHAZOXMHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-11(16)15-10(12(17)14-5-2)8-6-7-9-13-3/h10,13H,4-9H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide?
N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(methylamino)-2-(propanoylamino)hexanamide is sourced from PubChem (CID 88975780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).