6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide

C20H40N4O5 — CID 170609823

IUPAC6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide
SMILESCC(C)NC(=O)CNC(=O)CCCCCN.CCNC(=O)COCC(=O)C(C)C
InChIInChI=1S/C11H23N3O2.C9H17NO3/c1-9(2)14-11(16)8-13-10(15)6-4-3-5-7-12;1-4-10-9(12)6-13-5-8(11)7(2)3/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16);7H,4-6H2,1-3H3,(H,10,12)
InChIKeyBQXNCUKVWNBRRB-UHFFFAOYSA-N
MW416.56 g/mol
LogP0.51
Rot. Bonds14

About 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide

6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide (PubChem CID 170609823) has the molecular formula C20H40N4O5 and a molecular weight of 416.56 g/mol. Its IUPAC name is 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide.

Molecular Properties

Compound Name6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide
PubChem CID170609823
Molecular FormulaC20H40N4O5
Molecular Weight416.56 g/mol
Exact Mass416.30
IUPAC Name6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide
SMILESCC(C)NC(=O)CNC(=O)CCCCCN.CCNC(=O)COCC(=O)C(C)C
InChIInChI=1S/C11H23N3O2.C9H17NO3/c1-9(2)14-11(16)8-13-10(15)6-4-3-5-7-12;1-4-10-9(12)6-13-5-8(11)7(2)3/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16);7H,4-6H2,1-3H3,(H,10,12)
InChIKeyBQXNCUKVWNBRRB-UHFFFAOYSA-N
XLogP0.51
TPSA139.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide
CID 43515188
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
6-amino-N-[6-oxo-6-(propan-2-ylamino)hexyl]hexanamide
CID 102236503
N-(2-methylpropyl)-N'-[2-oxo-2-(propan-2-ylamino)ethyl]decanediamide
CID 155445276
6-oxo-6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]hexanoic acid
CID 43567860
11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
6-amino-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]hexanamide
CID 118327264
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
N,N'-diethylnonanediamide
CID 89048639
N-ethyl-2-[2-(ethylamino)-2-oxoethoxy]acetamide
CID 13126647
3-(3-aminopropoxy)-N-ethylpropanamide
CID 62344045
14-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-14-oxotetradecanoic acid
CID 134266684

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide?
The IUPAC name of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide (CID 170609823) is 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide.
What is the SMILES notation for 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide?
The canonical SMILES for 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide is CC(C)NC(=O)CNC(=O)CCCCCN.CCNC(=O)COCC(=O)C(C)C.
What is the InChIKey of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide?
The InChIKey is BQXNCUKVWNBRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.C9H17NO3/c1-9(2)14-11(16)8-13-10(15)6-4-3-5-7-12;1-4-10-9(12)6-13-5-8(11)7(2)3/h9H,3-8,12H2,1-2H3,(H,13,15)(H,14,16);7H,4-6H2,1-3H3,(H,10,12).
What are the key properties of 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide?
6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide has a molecular weight of 416.56 g/mol, XLogP of 0.51, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]hexanamide;N-ethyl-2-(3-methyl-2-oxobutoxy)acetamide is sourced from PubChem (CID 170609823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).