N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide

C30H40N2O2 — CID 132596984

IUPACN-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)cc1)C1CCCCC1
InChIInChI=1S/C30H40N2O2/c1-21(23-9-5-3-6-10-23)31-29(33)27-17-13-25(14-18-27)26-15-19-28(20-16-26)30(34)32-22(2)24-11-7-4-8-12-24/h13-24H,3-12H2,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m0/s1
InChIKeyNIDXMQIJXHXPHP-VXKWHMMOSA-N
MW460.66 g/mol
LogP6.75
Rot. Bonds7

About N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide

N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide (PubChem CID 132596984) has the molecular formula C30H40N2O2 and a molecular weight of 460.66 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
PubChem CID132596984
Molecular FormulaC30H40N2O2
Molecular Weight460.66 g/mol
Exact Mass460.31
IUPAC NameN-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
SMILESC[C@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)cc1)C1CCCCC1
InChIInChI=1S/C30H40N2O2/c1-21(23-9-5-3-6-10-23)31-29(33)27-17-13-25(14-18-27)26-15-19-28(20-16-26)30(34)32-22(2)24-11-7-4-8-12-24/h13-24H,3-12H2,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m0/s1
InChIKeyNIDXMQIJXHXPHP-VXKWHMMOSA-N
XLogP6.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.66
LogP ≤ 56.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide with MolForge

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Related Compounds

4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
CID 102851926
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
CID 56587993
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-amino-4-chloro-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392061
N-(1-cyclopentylethyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 143609284
N-(1-cyclohexylethyl)-3,4,5-trifluorobenzamide
CID 63189611
N-[(1S)-1-cyclohexylethyl]-2-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]-2-pyridinyl]pyridine-4-carboxamide
CID 132516828

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide?
The IUPAC name of N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide (CID 132596984) is N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide.
What is the SMILES notation for N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide?
The canonical SMILES for N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide is C[C@H](NC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)C3CCCCC3)cc2)cc1)C1CCCCC1.
What is the InChIKey of N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide?
The InChIKey is NIDXMQIJXHXPHP-VXKWHMMOSA-N. The full InChI is InChI=1S/C30H40N2O2/c1-21(23-9-5-3-6-10-23)31-29(33)27-17-13-25(14-18-27)26-15-19-28(20-16-26)30(34)32-22(2)24-11-7-4-8-12-24/h13-24H,3-12H2,1-2H3,(H,31,33)(H,32,34)/t21-,22-/m0/s1.
What are the key properties of N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide?
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide has a molecular weight of 460.66 g/mol, XLogP of 6.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide is sourced from PubChem (CID 132596984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).