N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide

C22H29N3O3 — CID 55364516

IUPACN-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)CCCNC(=O)c1ccccc1)N(C)C
InChIInChI=1S/C22H29N3O3/c1-25(2)19(18-12-7-8-13-20(18)28-3)16-24-21(26)14-9-15-23-22(27)17-10-5-4-6-11-17/h4-8,10-13,19H,9,14-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLLANMFJAUXWUDC-UHFFFAOYSA-N
MW383.49 g/mol
LogP2.62
Rot. Bonds10

About N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide

N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide (PubChem CID 55364516) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
PubChem CID55364516
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide
SMILESCOc1ccccc1C(CNC(=O)CCCNC(=O)c1ccccc1)N(C)C
InChIInChI=1S/C22H29N3O3/c1-25(2)19(18-12-7-8-13-20(18)28-3)16-24-21(26)14-9-15-23-22(27)17-10-5-4-6-11-17/h4-8,10-13,19H,9,14-16H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyLLANMFJAUXWUDC-UHFFFAOYSA-N
XLogP2.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-(2-methylphenoxy)butanamide
CID 55538099
N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-4-oxobutyl]benzamide
CID 51181102
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[4-(2-methoxyanilino)-4-oxobutyl]benzamide
CID 29371184
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 55350071
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
N-[6-[(2-methoxyphenyl)methylamino]-6-oxohexyl]benzamide
CID 110838952
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide?
The IUPAC name of N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide (CID 55364516) is N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide.
What is the SMILES notation for N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide?
The canonical SMILES for N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide is COc1ccccc1C(CNC(=O)CCCNC(=O)c1ccccc1)N(C)C.
What is the InChIKey of N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide?
The InChIKey is LLANMFJAUXWUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-25(2)19(18-12-7-8-13-20(18)28-3)16-24-21(26)14-9-15-23-22(27)17-10-5-4-6-11-17/h4-8,10-13,19H,9,14-16H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide?
N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide has a molecular weight of 383.49 g/mol, XLogP of 2.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 55364516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).