6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide

C24H39N3O4 — CID 134386218

IUPAC6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide
SMILESCC(C)NOCc1ccc(NC(=O)CCCCCNC(=O)CCCC(=O)C(C)C)cc1
InChIInChI=1S/C24H39N3O4/c1-18(2)22(28)9-8-11-23(29)25-16-7-5-6-10-24(30)26-21-14-12-20(13-15-21)17-31-27-19(3)4/h12-15,18-19,27H,5-11,16-17H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyYLTPWZVZZRBWCY-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.13
Rot. Bonds16

About 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide

6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide (PubChem CID 134386218) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide.

Molecular Properties

Compound Name6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide
PubChem CID134386218
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Name6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide
SMILESCC(C)NOCc1ccc(NC(=O)CCCCCNC(=O)CCCC(=O)C(C)C)cc1
InChIInChI=1S/C24H39N3O4/c1-18(2)22(28)9-8-11-23(29)25-16-7-5-6-10-24(30)26-21-14-12-20(13-15-21)17-31-27-19(3)4/h12-15,18-19,27H,5-11,16-17H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyYLTPWZVZZRBWCY-UHFFFAOYSA-N
XLogP4.13
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-N-[7-[(7-methyl-6-oxooctanoyl)amino]heptyl]-6-oxooctanamide
CID 170246304
7-methyl-N-[6-[(7-methyl-6-oxooctanoyl)amino]hexyl]-6-oxooctanamide;molecular hydrogen
CID 145408102
8-methyl-7-oxo-N-[5-(propan-2-ylamino)pentyl]nonanamide
CID 178094356
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
S-methyl 6-[(7-methyl-6-oxooctanoyl)amino]hexanethioate
CID 137425861
7-methyl-6-oxo-N-(6-oxoheptyl)octanamide
CID 138632671
N-hexyl-7-methyl-6-oxooctanamide
CID 145408132
N-(7-methyl-6-oxooctyl)-6-oxoheptanamide
CID 129055878
6-methyl-N-[1-[3-[[3-(4-methylanilino)-3-oxopropyl]amino]-3-oxopropoxy]-2-[[3-[[3-(4-methylanilino)-3-oxopropyl]amino]-3-oxopropoxy]methyl]-3-[3-[[4-(4-methylphenyl)-3-oxobutyl]amino]-3-oxopropoxy]propan-2-yl]-5-oxoheptanamide
CID 159774550
13-methyl-N-[[4-(2-methylpropoxymethyl)phenyl]methyl]-12-oxotetradecanamide
CID 169317139
4-(3-methylbutoxy)-N-(7-methyl-6-oxooctyl)butanamide
CID 169317050

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide?
The IUPAC name of 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide (CID 134386218) is 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide.
What is the SMILES notation for 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide?
The canonical SMILES for 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide is CC(C)NOCc1ccc(NC(=O)CCCCCNC(=O)CCCC(=O)C(C)C)cc1.
What is the InChIKey of 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide?
The InChIKey is YLTPWZVZZRBWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-18(2)22(28)9-8-11-23(29)25-16-7-5-6-10-24(30)26-21-14-12-20(13-15-21)17-31-27-19(3)4/h12-15,18-19,27H,5-11,16-17H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide?
6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide has a molecular weight of 433.59 g/mol, XLogP of 4.13, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-oxo-N-[6-oxo-6-[4-[(propan-2-ylamino)oxymethyl]anilino]hexyl]heptanamide is sourced from PubChem (CID 134386218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).