6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide

C19H29N3O3 — CID 87018702

IUPAC6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCCCCNC(C)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-3-7-19(25)22-17-11-9-16(10-12-17)14-21-18(24)8-5-4-6-13-20-15(2)23/h9-12H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVOBQEELEYPYKBC-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.74
Rot. Bonds11

About 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide

6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide (PubChem CID 87018702) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
PubChem CID87018702
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)CCCCCNC(C)=O)cc1
InChIInChI=1S/C19H29N3O3/c1-3-7-19(25)22-17-11-9-16(10-12-17)14-21-18(24)8-5-4-6-13-20-15(2)23/h9-12H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyVOBQEELEYPYKBC-UHFFFAOYSA-N
XLogP2.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.74
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

6-acetamido-N-[(4-methylphenyl)methyl]hexanamide
CID 112763501
N-[(4-acetamidophenyl)methyl]-7-aminoheptanamide
CID 61260684
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[4-(carbamoylamino)phenyl]methyl]hexanamide
CID 52559075
N-[12-(4-hydroxyanilino)-12-oxododecyl]tridecanamide
CID 59961365
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide
CID 61260318
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
N-benzyl-N'-(4-methylphenyl)decanediamide
CID 173311347
N-[(4-acetamidophenyl)methyl]-4-aminobutanamide;hydrochloride
CID 119277262
N-(4-acetamidophenyl)hexanamide
CID 4953736

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide?
The IUPAC name of 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide (CID 87018702) is 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide.
What is the SMILES notation for 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide?
The canonical SMILES for 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide is CCCC(=O)Nc1ccc(CNC(=O)CCCCCNC(C)=O)cc1.
What is the InChIKey of 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide?
The InChIKey is VOBQEELEYPYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-3-7-19(25)22-17-11-9-16(10-12-17)14-21-18(24)8-5-4-6-13-20-15(2)23/h9-12H,3-8,13-14H2,1-2H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide?
6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide has a molecular weight of 347.46 g/mol, XLogP of 2.74, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-[[4-(butanoylamino)phenyl]methyl]hexanamide is sourced from PubChem (CID 87018702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).