N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide

C29H36N2O4 — CID 5176280

IUPACN-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1C
InChIInChI=1S/C29H36N2O4/c1-4-34-20-10-18-31(29(33)27-14-9-8-11-23(27)2)22-28(32)30(21-26-16-15-24(3)35-26)19-17-25-12-6-5-7-13-25/h5-9,11-16H,4,10,17-22H2,1-3H3
InChIKeyHVYFGECSMKDYTI-UHFFFAOYSA-N
MW476.62 g/mol
LogP5.04
Rot. Bonds13

About N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide

N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 5176280) has the molecular formula C29H36N2O4 and a molecular weight of 476.62 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
PubChem CID5176280
Molecular FormulaC29H36N2O4
Molecular Weight476.62 g/mol
Exact Mass476.27
IUPAC NameN-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
SMILESCCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1C
InChIInChI=1S/C29H36N2O4/c1-4-34-20-10-18-31(29(33)27-14-9-8-11-23(27)2)22-28(32)30(21-26-16-15-24(3)35-26)19-17-25-12-6-5-7-13-25/h5-9,11-16H,4,10,17-22H2,1-3H3
InChIKeyHVYFGECSMKDYTI-UHFFFAOYSA-N
XLogP5.04
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3984440
2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4028602
3,4-dichloro-N-(3-ethoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4645321
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 42773085
4-fluoro-N-(3-methoxypropyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 4284944
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 4611746
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
N-benzyl-2-[3-ethoxypropyl-(2-phenylmethoxyacetyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 42773091
ethyl 4-[[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-(3-ethoxypropyl)amino]-4-oxobutanoate
CID 4547725
N-(2-methoxyethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3919322
N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
CID 3531802
N-(3-ethoxypropyl)-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 4695356

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide (CID 5176280) is N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccccc1C.
What is the InChIKey of N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is HVYFGECSMKDYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N2O4/c1-4-34-20-10-18-31(29(33)27-14-9-8-11-23(27)2)22-28(32)30(21-26-16-15-24(3)35-26)19-17-25-12-6-5-7-13-25/h5-9,11-16H,4,10,17-22H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide?
N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 476.62 g/mol, XLogP of 5.04, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 5176280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).