2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide

C20H32N2O — CID 57262115

IUPAC2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide
SMILESCCC(C)C(=O)NC1CCCC(NCCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-16(2)20(23)22-19-11-7-10-18(12-13-19)21-15-14-17-8-5-4-6-9-17/h4-6,8-9,16,18-19,21H,3,7,10-15H2,1-2H3,(H,22,23)
InChIKeyMXRUEYFHEKNYJT-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.68
Rot. Bonds7

About 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide

2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide (PubChem CID 57262115) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide
PubChem CID57262115
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide
SMILESCCC(C)C(=O)NC1CCCC(NCCc2ccccc2)CC1
InChIInChI=1S/C20H32N2O/c1-3-16(2)20(23)22-19-11-7-10-18(12-13-19)21-15-14-17-8-5-4-6-9-17/h4-6,8-9,16,18-19,21H,3,7,10-15H2,1-2H3,(H,22,23)
InChIKeyMXRUEYFHEKNYJT-UHFFFAOYSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
2-[3-(cyclopropylamino)propanoylamino]-4-phenylbutanoic acid
CID 114917573
N-cyclopentyl-N'-(4-phenylbutan-2-yl)oxamide
CID 18588529
(2S)-2-(cyclopropylcarbamoylamino)-4-phenylbutanoic acid
CID 104983243
(2R)-N-cyclohexyl-2-[2-phenylethyl(propanoyl)amino]propanamide
CID 100521838
N-[2-(4-butan-2-ylphenyl)ethyl]cyclopropanamine
CID 82262237
2-(cyclopropylamino)-4-phenylbutanoic acid
CID 62880586
3-cyclopropyl-N-(2-phenylethyl)cyclohexan-1-amine
CID 64595027
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481
1-N-(2-phenylethyl)cyclohexane-1,3-diamine
CID 79459302
8-methyl-N-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 2837528

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide?
The IUPAC name of 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide (CID 57262115) is 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide.
What is the SMILES notation for 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide?
The canonical SMILES for 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide is CCC(C)C(=O)NC1CCCC(NCCc2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide?
The InChIKey is MXRUEYFHEKNYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-3-16(2)20(23)22-19-11-7-10-18(12-13-19)21-15-14-17-8-5-4-6-9-17/h4-6,8-9,16,18-19,21H,3,7,10-15H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide?
2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide has a molecular weight of 316.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(2-phenylethylamino)cycloheptyl]butanamide is sourced from PubChem (CID 57262115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).