N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide

C26H34N2O2 — CID 132763943

IUPACN-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C26H34N2O2/c1-4-24(26(30)27-23-13-5-6-14-23)28(18-22-12-8-10-20(3)16-22)25(29)17-21-11-7-9-19(2)15-21/h7-12,15-16,23-24H,4-6,13-14,17-18H2,1-3H3,(H,27,30)
InChIKeyCXOYERISPZZGCR-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.71
Rot. Bonds8

About N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide

N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide (PubChem CID 132763943) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
PubChem CID132763943
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
SMILESCCC(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1
InChIInChI=1S/C26H34N2O2/c1-4-24(26(30)27-23-13-5-6-14-23)28(18-22-12-8-10-20(3)16-22)25(29)17-21-11-7-9-19(2)15-21/h7-12,15-16,23-24H,4-6,13-14,17-18H2,1-3H3,(H,27,30)
InChIKeyCXOYERISPZZGCR-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132947792
(2S)-N-cyclohexyl-2-[[2-(2-fluorophenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100542409
2-[benzyl-[2-(3-methylphenyl)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263660
(2S)-N-cyclohexyl-2-[[2-(3-methylphenyl)acetyl]-(2-phenylethyl)amino]butanamide
CID 100608811
(2R)-N-cyclohexyl-2-[(3-methylphenyl)methyl-(2-phenylacetyl)amino]-3-phenylpropanamide
CID 100581156
2-[[2-(3-chlorophenyl)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132611837
2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 132704405
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]propanamide
CID 132763256
2-[[2-(4-chlorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]-N-cyclopentylbutanamide
CID 132612049
N-cyclopentyl-2-[(3-methylphenyl)methyl-propanoylamino]-3-phenylpropanamide
CID 133264327
N-cyclohexyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 132611757
(2S)-N-cyclohexyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methylphenyl)methyl]amino]butanamide
CID 100535664

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide (CID 132763943) is N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide is CCC(C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1.
What is the InChIKey of N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
The InChIKey is CXOYERISPZZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-4-24(26(30)27-23-13-5-6-14-23)28(18-22-12-8-10-20(3)16-22)25(29)17-21-11-7-9-19(2)15-21/h7-12,15-16,23-24H,4-6,13-14,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide?
N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide has a molecular weight of 406.57 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[[2-(3-methylphenyl)acetyl]-[(3-methylphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132763943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).