N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide

C29H37N3O3 — CID 3531802

IUPACN-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
SMILESCCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1C
InChIInChI=1S/C29H37N3O3/c1-4-5-11-19-32(29(34)30-27-15-10-9-12-23(27)2)22-28(33)31(21-26-17-16-24(3)35-26)20-18-25-13-7-6-8-14-25/h6-10,12-17H,4-5,11,18-22H2,1-3H3,(H,30,34)
InChIKeyIYXRYJOLUWDPKE-UHFFFAOYSA-N
MW475.63 g/mol
LogP6.19
Rot. Bonds12

About N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide

N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide (PubChem CID 3531802) has the molecular formula C29H37N3O3 and a molecular weight of 475.63 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
PubChem CID3531802
Molecular FormulaC29H37N3O3
Molecular Weight475.63 g/mol
Exact Mass475.28
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide
SMILESCCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1C
InChIInChI=1S/C29H37N3O3/c1-4-5-11-19-32(29(34)30-27-15-10-9-12-23(27)2)22-28(33)31(21-26-17-16-24(3)35-26)20-18-25-13-7-6-8-14-25/h6-10,12-17H,4-5,11,18-22H2,1-3H3,(H,30,34)
InChIKeyIYXRYJOLUWDPKE-UHFFFAOYSA-N
XLogP6.19
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-ethoxypropyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 4028602
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905
N-butyl-4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 3367998
N-(3-ethoxypropyl)-2-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5176280
2,2-dimethyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propylpropanamide
CID 42780133
N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)-2-(propylamino)acetamide
CID 7347797
2-[tert-butylcarbamoyl(cyclopropyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5228415
2-[butyl-[(4-tert-butylphenyl)methyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 46128888
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]-2-[phenylcarbamoyl(propyl)amino]acetamide
CID 3940325
N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 4291924
N-benzyl-2-[(2,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5142066
N-benzyl-2-[(2-ethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4137317

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide (CID 3531802) is N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide is CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)Nc1ccccc1C.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide?
The InChIKey is IYXRYJOLUWDPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O3/c1-4-5-11-19-32(29(34)30-27-15-10-9-12-23(27)2)22-28(33)31(21-26-17-16-24(3)35-26)20-18-25-13-7-6-8-14-25/h6-10,12-17H,4-5,11,18-22H2,1-3H3,(H,30,34).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide?
N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide has a molecular weight of 475.63 g/mol, XLogP of 6.19, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-2-[(2-methylphenyl)carbamoyl-pentylamino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3531802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).