N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide

C38H45N5O3 — CID 158442544

IUPACN-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide
SMILESCCN(CC)c1cccc(CC(=O)c2cc(NC(=O)c3cccc(N(C)C)c3)cc(NC(=O)c3cccc(N(CC)CC)c3)c2)c1
InChIInChI=1S/C38H45N5O3/c1-7-42(8-2)34-18-11-14-27(20-34)21-36(44)30-22-31(39-37(45)28-15-12-17-33(24-28)41(5)6)26-32(23-30)40-38(46)29-16-13-19-35(25-29)43(9-3)10-4/h11-20,22-26H,7-10,21H2,1-6H3,(H,39,45)(H,40,46)
InChIKeyBVYLDMXCEHNSTF-UHFFFAOYSA-N
MW619.81 g/mol
LogP7.38
Rot. Bonds14

About N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide

N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide (PubChem CID 158442544) has the molecular formula C38H45N5O3 and a molecular weight of 619.81 g/mol. Its IUPAC name is N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide
PubChem CID158442544
Molecular FormulaC38H45N5O3
Molecular Weight619.81 g/mol
Exact Mass619.35
IUPAC NameN-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide
SMILESCCN(CC)c1cccc(CC(=O)c2cc(NC(=O)c3cccc(N(C)C)c3)cc(NC(=O)c3cccc(N(CC)CC)c3)c2)c1
InChIInChI=1S/C38H45N5O3/c1-7-42(8-2)34-18-11-14-27(20-34)21-36(44)30-22-31(39-37(45)28-15-12-17-33(24-28)41(5)6)26-32(23-30)40-38(46)29-16-13-19-35(25-29)43(9-3)10-4/h11-20,22-26H,7-10,21H2,1-6H3,(H,39,45)(H,40,46)
InChIKeyBVYLDMXCEHNSTF-UHFFFAOYSA-N
XLogP7.38
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.81
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(diethylamino)phenyl]-3-(dimethylamino)benzamide
CID 8761945
3-(dimethylamino)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 60629966
N-(3-acetylphenyl)-3-(dimethylamino)benzamide
CID 7922589
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
3-(dimethylamino)-N-(4-formylphenyl)benzamide
CID 106912114
N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
N-(4-bromophenyl)-3-(dimethylamino)benzamide
CID 690521
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-(dimethylamino)benzamide
CID 46364150
N-[4-(diethylamino)phenyl]-3-methylbenzamide
CID 835431
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
3-(dimethylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 2319650
N-[3-amino-4-(aminomethyl)phenyl]-3-(dimethylamino)benzamide
CID 174393295

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide (CID 158442544) is N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide is CCN(CC)c1cccc(CC(=O)c2cc(NC(=O)c3cccc(N(C)C)c3)cc(NC(=O)c3cccc(N(CC)CC)c3)c2)c1.
What is the InChIKey of N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide?
The InChIKey is BVYLDMXCEHNSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N5O3/c1-7-42(8-2)34-18-11-14-27(20-34)21-36(44)30-22-31(39-37(45)28-15-12-17-33(24-28)41(5)6)26-32(23-30)40-38(46)29-16-13-19-35(25-29)43(9-3)10-4/h11-20,22-26H,7-10,21H2,1-6H3,(H,39,45)(H,40,46).
What are the key properties of N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide?
N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide has a molecular weight of 619.81 g/mol, XLogP of 7.38, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3-(diethylamino)benzoyl]amino]-5-[2-[3-(diethylamino)phenyl]acetyl]phenyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 158442544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).