N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide

C41H58N4O3 — CID 155097548

IUPACN-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide
SMILESCCCc1cccc(C(=O)N(C)CCN(CCN(C)C(=O)c2cccc(CC(C)C)c2)CCN(C)C(=O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C41H58N4O3/c1-9-13-33-14-10-17-36(28-33)39(46)42(6)20-23-45(24-21-43(7)40(47)37-18-11-15-34(29-37)26-31(2)3)25-22-44(8)41(48)38-19-12-16-35(30-38)27-32(4)5/h10-12,14-19,28-32H,9,13,20-27H2,1-8H3
InChIKeyUOSNXGOMCISJCU-UHFFFAOYSA-N
MW654.94 g/mol
LogP6.95
Rot. Bonds18

About N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide

N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide (PubChem CID 155097548) has the molecular formula C41H58N4O3 and a molecular weight of 654.94 g/mol. Its IUPAC name is N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide.

Molecular Properties

Compound NameN-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide
PubChem CID155097548
Molecular FormulaC41H58N4O3
Molecular Weight654.94 g/mol
Exact Mass654.45
IUPAC NameN-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide
SMILESCCCc1cccc(C(=O)N(C)CCN(CCN(C)C(=O)c2cccc(CC(C)C)c2)CCN(C)C(=O)c2cccc(CC(C)C)c2)c1
InChIInChI=1S/C41H58N4O3/c1-9-13-33-14-10-17-36(28-33)39(46)42(6)20-23-45(24-21-43(7)40(47)37-18-11-15-34(29-37)26-31(2)3)25-22-44(8)41(48)38-19-12-16-35(30-38)27-32(4)5/h10-12,14-19,28-32H,9,13,20-27H2,1-8H3
InChIKeyUOSNXGOMCISJCU-UHFFFAOYSA-N
XLogP6.95
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.94
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-N-methyl-N-[2-[2-[methyl-[5-(2-methylbutyl)cyclohexa-1,5-diene-1-carbonyl]amino]ethyl-[2-[methyl-(3-propylbenzoyl)amino]ethyl]amino]ethyl]benzamide
CID 142530047
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
(2S)-2-[methyl-[3-(2-methylpropyl)benzoyl]amino]butanedioic acid
CID 90059112
3-(aminomethyl)-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 63695114
3-(bromomethyl)-N-(2-hydroxyethyl)-N-methylbenzamide
CID 82110320
3-(2-methylpropyl)benzamide
CID 23130390
1-[3-(2-methylpropyl)phenyl]hexan-1-one
CID 115812383
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
N,3-diethyl-N-methylbenzamide
CID 89250993
N,3-bis(2-methylpropyl)benzamide
CID 176945198
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide?
The IUPAC name of N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide (CID 155097548) is N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide.
What is the SMILES notation for N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide?
The canonical SMILES for N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide is CCCc1cccc(C(=O)N(C)CCN(CCN(C)C(=O)c2cccc(CC(C)C)c2)CCN(C)C(=O)c2cccc(CC(C)C)c2)c1.
What is the InChIKey of N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide?
The InChIKey is UOSNXGOMCISJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H58N4O3/c1-9-13-33-14-10-17-36(28-33)39(46)42(6)20-23-45(24-21-43(7)40(47)37-18-11-15-34(29-37)26-31(2)3)25-22-44(8)41(48)38-19-12-16-35(30-38)27-32(4)5/h10-12,14-19,28-32H,9,13,20-27H2,1-8H3.
What are the key properties of N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide?
N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide has a molecular weight of 654.94 g/mol, XLogP of 6.95, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[methyl-[3-(2-methylpropyl)benzoyl]amino]ethyl]amino]ethyl]-N-methyl-3-propylbenzamide is sourced from PubChem (CID 155097548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).