N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide

C36H40N2O4 — CID 4939619

IUPACN-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(CCN(Cc2ccccc2)C(=O)c2ccc(OCCC)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C36H40N2O4/c1-3-25-41-33-19-15-31(16-20-33)35(39)37(27-29-11-7-5-8-12-29)23-24-38(28-30-13-9-6-10-14-30)36(40)32-17-21-34(22-18-32)42-26-4-2/h5-22H,3-4,23-28H2,1-2H3
InChIKeyJELMTRQLANJOSD-UHFFFAOYSA-N
MW564.73 g/mol
LogP7.25
Rot. Bonds15

About N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide

N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide (PubChem CID 4939619) has the molecular formula C36H40N2O4 and a molecular weight of 564.73 g/mol. Its IUPAC name is N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
PubChem CID4939619
Molecular FormulaC36H40N2O4
Molecular Weight564.73 g/mol
Exact Mass564.30
IUPAC NameN-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N(CCN(Cc2ccccc2)C(=O)c2ccc(OCCC)cc2)Cc2ccccc2)cc1
InChIInChI=1S/C36H40N2O4/c1-3-25-41-33-19-15-31(16-20-33)35(39)37(27-29-11-7-5-8-12-29)23-24-38(28-30-13-9-6-10-14-30)36(40)32-17-21-34(22-18-32)42-26-4-2/h5-22H,3-4,23-28H2,1-2H3
InChIKeyJELMTRQLANJOSD-UHFFFAOYSA-N
XLogP7.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.73
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[benzyl-(4-propoxybenzoyl)amino]propanoate
CID 43910678
N-benzyl-N-(2-cyanoethyl)-4-pentoxybenzamide
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N-benzyl-N-(2-cyanoethyl)-4-heptoxybenzamide
CID 43911723
N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 5126774
N-benzyl-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911691
N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N-benzyl-N-propyl-4-(trifluoromethoxy)benzamide
CID 71026261
4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
bis[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]methanone
CID 90685991
N,N-dibenzyl-2-[4-(2-ethoxyethoxy)phenoxy]acetamide
CID 4732976

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide?
The IUPAC name of N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide (CID 4939619) is N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide.
What is the SMILES notation for N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide?
The canonical SMILES for N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide is CCCOc1ccc(C(=O)N(CCN(Cc2ccccc2)C(=O)c2ccc(OCCC)cc2)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide?
The InChIKey is JELMTRQLANJOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40N2O4/c1-3-25-41-33-19-15-31(16-20-33)35(39)37(27-29-11-7-5-8-12-29)23-24-38(28-30-13-9-6-10-14-30)36(40)32-17-21-34(22-18-32)42-26-4-2/h5-22H,3-4,23-28H2,1-2H3.
What are the key properties of N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide?
N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide has a molecular weight of 564.73 g/mol, XLogP of 7.25, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[benzyl-(4-propoxybenzoyl)amino]ethyl]-4-propoxybenzamide is sourced from PubChem (CID 4939619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).