N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide

C25H34N2O4 — CID 43017375

IUPACN-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCCOc1ccc(C(C)NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1OCCC
InChIInChI=1S/C25H34N2O4/c1-6-10-30-22-9-8-20(15-23(22)31-11-7-2)19(5)27-24(28)16-26-25(29)21-13-17(3)12-18(4)14-21/h8-9,12-15,19H,6-7,10-11,16H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyLEVGOYRDSMSHQT-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.49
Rot. Bonds11

About N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 43017375) has the molecular formula C25H34N2O4 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID43017375
Molecular FormulaC25H34N2O4
Molecular Weight426.56 g/mol
Exact Mass426.25
IUPAC NameN-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCCCOc1ccc(C(C)NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1OCCC
InChIInChI=1S/C25H34N2O4/c1-6-10-30-22-9-8-20(15-23(22)31-11-7-2)19(5)27-24(28)16-26-25(29)21-13-17(3)12-18(4)14-21/h8-9,12-15,19H,6-7,10-11,16H2,1-5H3,(H,26,29)(H,27,28)
InChIKeyLEVGOYRDSMSHQT-UHFFFAOYSA-N
XLogP4.49
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-4-fluorobenzamide
CID 46414977
2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55845776
N-[2-[1-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 17395356
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
CID 46807320
N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 9418935
4-acetyl-N-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 8533676
N-[2-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-2-oxoethyl]furan-3-carboxamide
CID 46460724
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 43017375) is N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide is CCCOc1ccc(C(C)NC(=O)CNC(=O)c2cc(C)cc(C)c2)cc1OCCC.
What is the InChIKey of N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is LEVGOYRDSMSHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O4/c1-6-10-30-22-9-8-20(15-23(22)31-11-7-2)19(5)27-24(28)16-26-25(29)21-13-17(3)12-18(4)14-21/h8-9,12-15,19H,6-7,10-11,16H2,1-5H3,(H,26,29)(H,27,28).
What are the key properties of N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 426.56 g/mol, XLogP of 4.49, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3,4-dipropoxyphenyl)ethylamino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 43017375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).