2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide

C27H40N4O2 — CID 42747741

IUPAC2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
SMILESCCCCCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NCCCN(C)C)c2)cc1
InChIInChI=1S/C27H40N4O2/c1-6-7-8-9-11-21-12-14-22(15-13-21)26(32)29-23-16-17-25(31(4)5)24(20-23)27(33)28-18-10-19-30(2)3/h12-17,20H,6-11,18-19H2,1-5H3,(H,28,33)(H,29,32)
InChIKeyOEGFTYWFGLDWQL-UHFFFAOYSA-N
MW452.64 g/mol
LogP4.81
Rot. Bonds13

About 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide

2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide (PubChem CID 42747741) has the molecular formula C27H40N4O2 and a molecular weight of 452.64 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
PubChem CID42747741
Molecular FormulaC27H40N4O2
Molecular Weight452.64 g/mol
Exact Mass452.32
IUPAC Name2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide
SMILESCCCCCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NCCCN(C)C)c2)cc1
InChIInChI=1S/C27H40N4O2/c1-6-7-8-9-11-21-12-14-22(15-13-21)26(32)29-23-16-17-25(31(4)5)24(20-23)27(33)28-18-10-19-30(2)3/h12-17,20H,6-11,18-19H2,1-5H3,(H,28,33)(H,29,32)
InChIKeyOEGFTYWFGLDWQL-UHFFFAOYSA-N
XLogP4.81
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 54.81
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

N-benzyl-2-(dimethylamino)-5-[(4-hexylbenzoyl)amino]benzamide
CID 5177723
5-[(4-butylbenzoyl)amino]-N-cyclopropyl-2-(dimethylamino)benzamide
CID 3967282
5-[(4-chlorobenzoyl)amino]-2-(dimethylamino)-N-propylbenzamide
CID 3943330
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-heptylbenzamide
CID 143018159
2-(dimethylamino)-N,N-diethyl-5-[(4-ethylbenzoyl)amino]benzamide
CID 5021314
2-(dimethylamino)-5-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 4638056
N-benzyl-5-[(4-butoxybenzoyl)amino]-2-(dimethylamino)benzamide
CID 4273058
2-(dimethylamino)-N-(2-methoxyethyl)-5-[(4-methylbenzoyl)amino]benzamide
CID 4036231
2-(dimethylamino)-5-(hexanoylamino)-N-(3-methoxypropyl)benzamide
CID 3535205
5-(butylcarbamoylamino)-2-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 3667525
3,4-dichloro-N-[3-[2-(diethylamino)ethylcarbamoyl]-4-(dimethylamino)phenyl]benzamide
CID 42747665
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide (CID 42747741) is 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide is CCCCCCc1ccc(C(=O)Nc2ccc(N(C)C)c(C(=O)NCCCN(C)C)c2)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide?
The InChIKey is OEGFTYWFGLDWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N4O2/c1-6-7-8-9-11-21-12-14-22(15-13-21)26(32)29-23-16-17-25(31(4)5)24(20-23)27(33)28-18-10-19-30(2)3/h12-17,20H,6-11,18-19H2,1-5H3,(H,28,33)(H,29,32).
What are the key properties of 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide?
2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide has a molecular weight of 452.64 g/mol, XLogP of 4.81, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(dimethylamino)propyl]-5-[(4-hexylbenzoyl)amino]benzamide is sourced from PubChem (CID 42747741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).