N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide

C25H34N2O5 — CID 46807320

IUPACN-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCCCOc1ccc(C(C)NC(=O)CCNC(=O)c2ccccc2OC)cc1OCCC
InChIInChI=1S/C25H34N2O5/c1-5-15-31-22-12-11-19(17-23(22)32-16-6-2)18(3)27-24(28)13-14-26-25(29)20-9-7-8-10-21(20)30-4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyWFKCNKDPOGLDPQ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.27
Rot. Bonds13

About N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide

N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide (PubChem CID 46807320) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
PubChem CID46807320
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC NameN-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide
SMILESCCCOc1ccc(C(C)NC(=O)CCNC(=O)c2ccccc2OC)cc1OCCC
InChIInChI=1S/C25H34N2O5/c1-5-15-31-22-12-11-19(17-23(22)32-16-6-2)18(3)27-24(28)13-14-26-25(29)20-9-7-8-10-21(20)30-4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,29)(H,27,28)
InChIKeyWFKCNKDPOGLDPQ-UHFFFAOYSA-N
XLogP4.27
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-N-[2-[1-(3-methoxy-4-propoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 55845776
3-[[benzyl(methyl)carbamoyl]amino]-N-[1-(3-methoxy-4-propoxyphenyl)ethyl]propanamide
CID 56581932
2-chloro-N-[2-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 55869434
tert-butyl N-[3-[1-(3-methoxy-4-pentoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 55747253
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
3-(2-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 108789414
N-[1-(3,4-dipropoxyphenyl)ethyl]-2-nitrobenzamide
CID 46657865
2-[3-[(2-methoxybenzoyl)amino]propanoylamino]-N-(1-phenylethyl)benzamide
CID 43000358
3-(2-hydroxyphenyl)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]propanamide
CID 55797839
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 46415728

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide (CID 46807320) is N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide is CCCOc1ccc(C(C)NC(=O)CCNC(=O)c2ccccc2OC)cc1OCCC.
What is the InChIKey of N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
The InChIKey is WFKCNKDPOGLDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-5-15-31-22-12-11-19(17-23(22)32-16-6-2)18(3)27-24(28)13-14-26-25(29)20-9-7-8-10-21(20)30-4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,29)(H,27,28).
What are the key properties of N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide?
N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide has a molecular weight of 442.56 g/mol, XLogP of 4.27, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(3,4-dipropoxyphenyl)ethylamino]-3-oxopropyl]-2-methoxybenzamide is sourced from PubChem (CID 46807320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).