2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide

C19H31N3O3 — CID 3535205

IUPAC2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
SMILESCCCCCC(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1
InChIInChI=1S/C19H31N3O3/c1-5-6-7-9-18(23)21-15-10-11-17(22(2)3)16(14-15)19(24)20-12-8-13-25-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,24)(H,21,23)
InChIKeySQKIPFVAMSSWIX-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.04
Rot. Bonds11

About 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide

2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide (PubChem CID 3535205) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
PubChem CID3535205
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
SMILESCCCCCC(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1
InChIInChI=1S/C19H31N3O3/c1-5-6-7-9-18(23)21-15-10-11-17(22(2)3)16(14-15)19(24)20-12-8-13-25-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,24)(H,21,23)
InChIKeySQKIPFVAMSSWIX-UHFFFAOYSA-N
XLogP3.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
2-(dimethylamino)-5-[[(2S)-2-ethylhexanoyl]amino]-N-(3-methoxypropyl)benzamide
CID 7356631
ethyl 4-[4-(dimethylamino)-3-(2-methoxyethylcarbamoyl)anilino]-4-oxobutanoate
CID 42747552
2-(dimethylamino)-N-(3-methoxypropyl)-5-(3-phenylprop-2-enoylamino)benzamide
CID 5160037
5-(hexanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-ylbenzamide
CID 3930160
5-[(3,4-dichlorophenyl)carbamoylamino]-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 4002462
5-(cyclopropanecarbonylamino)-2-(dimethylamino)-N-(3-methoxypropyl)benzamide
CID 42747574
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(3R)-3,5,5-trimethylhexanoyl]amino]benzamide
CID 7356424
2-(dimethylamino)-N-(3-methoxypropyl)-5-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 7230247
N-(3-methoxypropyl)-5-(pentanoylamino)-2-pyrrolidin-1-ylbenzamide
CID 5149607
N-(3-methoxypropyl)-2-(4-methylpiperidin-1-yl)-5-(nonanoylamino)benzamide
CID 4693028
2-(dimethylamino)-N-(3-methoxypropyl)-5-[(4-nitrobenzoyl)amino]benzamide
CID 3938181

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide?
The IUPAC name of 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide (CID 3535205) is 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide.
What is the SMILES notation for 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide?
The canonical SMILES for 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide is CCCCCC(=O)Nc1ccc(N(C)C)c(C(=O)NCCCOC)c1.
What is the InChIKey of 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide?
The InChIKey is SQKIPFVAMSSWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-5-6-7-9-18(23)21-15-10-11-17(22(2)3)16(14-15)19(24)20-12-8-13-25-4/h10-11,14H,5-9,12-13H2,1-4H3,(H,20,24)(H,21,23).
What are the key properties of 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide?
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide has a molecular weight of 349.48 g/mol, XLogP of 3.04, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide is sourced from PubChem (CID 3535205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).