N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide

C18H35N3O3 — CID 86082203

IUPACN-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
SMILESCCCCCCCC(=O)NCCCC(=O)NCCCC(=O)N(C)C
InChIInChI=1S/C18H35N3O3/c1-4-5-6-7-8-11-16(22)19-14-9-12-17(23)20-15-10-13-18(24)21(2)3/h4-15H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLXZWBUZODKHHMS-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.23
Rot. Bonds14

About N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide

N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide (PubChem CID 86082203) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide.

Molecular Properties

Compound NameN-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
PubChem CID86082203
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC NameN-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide
SMILESCCCCCCCC(=O)NCCCC(=O)NCCCC(=O)N(C)C
InChIInChI=1S/C18H35N3O3/c1-4-5-6-7-8-11-16(22)19-14-9-12-17(23)20-15-10-13-18(24)21(2)3/h4-15H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyLXZWBUZODKHHMS-UHFFFAOYSA-N
XLogP2.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[7-(dimethylamino)-7-oxoheptyl]-7-(methylamino)heptanamide;N,N-dimethylhexanamide;N,N-dimethyl-7-(methylamino)heptanamide;bis(N-methylhexanamide);N-methylmethanamine
CID 161259059
7-amino-N-[4-(dimethylamino)-4-oxobutyl]heptanamide;hydrochloride
CID 119748258
N-pentylicosanamide
CID 139961886
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-[3-(triacontanoylamino)propyl]triacontanamide
CID 89373214
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide?
The IUPAC name of N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide (CID 86082203) is N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide.
What is the SMILES notation for N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide?
The canonical SMILES for N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide is CCCCCCCC(=O)NCCCC(=O)NCCCC(=O)N(C)C.
What is the InChIKey of N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide?
The InChIKey is LXZWBUZODKHHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-4-5-6-7-8-11-16(22)19-14-9-12-17(23)20-15-10-13-18(24)21(2)3/h4-15H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide?
N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide has a molecular weight of 341.50 g/mol, XLogP of 2.23, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(dimethylamino)-4-oxobutyl]amino]-4-oxobutyl]octanamide is sourced from PubChem (CID 86082203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).