N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide

C18H29N3O3 — CID 54829274

IUPACN-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNCCCOC)c1
InChIInChI=1S/C18H29N3O3/c1-3-4-5-10-17(22)20-15-8-6-9-16(13-15)21-18(23)14-19-11-7-12-24-2/h6,8-9,13,19H,3-5,7,10-12,14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQRKFNINEZHHHGO-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.77
Rot. Bonds12

About N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide

N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide (PubChem CID 54829274) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
PubChem CID54829274
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC NameN-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)CNCCCOC)c1
InChIInChI=1S/C18H29N3O3/c1-3-4-5-10-17(22)20-15-8-6-9-16(13-15)21-18(23)14-19-11-7-12-24-2/h6,8-9,13,19H,3-5,7,10-12,14H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyQRKFNINEZHHHGO-UHFFFAOYSA-N
XLogP2.77
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(3-methoxypropylamino)acetyl]amino]-N-methylbenzamide
CID 54829165
N-[3-(hexanoylamino)phenyl]-4-(2-methoxyethoxy)benzamide
CID 26161346
3-(hexanoylamino)-N-(2-methoxyethyl)benzamide
CID 17219031
N-(3-acetamidophenyl)-2-(2-methoxyethylamino)acetamide
CID 54819836
N-[3-[[2-(butylamino)acetyl]amino]phenyl]benzamide
CID 54815494
4-butoxy-N-[3-(hexanoylamino)phenyl]benzamide
CID 26161284
N-(3-chlorophenyl)-2-(octylamino)acetamide
CID 78914396
N-(3-chlorophenyl)-2-(hexadecylamino)acetamide
CID 54809142
N-(3-methoxyphenyl)-3-(3-methoxypropylamino)propanamide
CID 109015598
N-(3-fluorophenyl)-3-(3-methoxypropylamino)propanamide
CID 109015628
N-(3-methoxyphenyl)-2-(3-propoxypropylamino)acetamide
CID 82940732
N-[3-(hexanoylamino)phenyl]-4-propoxybenzamide
CID 26161290

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide (CID 54829274) is N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)CNCCCOC)c1.
What is the InChIKey of N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide?
The InChIKey is QRKFNINEZHHHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-3-4-5-10-17(22)20-15-8-6-9-16(13-15)21-18(23)14-19-11-7-12-24-2/h6,8-9,13,19H,3-5,7,10-12,14H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide?
N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide has a molecular weight of 335.45 g/mol, XLogP of 2.77, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(3-methoxypropylamino)acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 54829274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).