N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide

C26H34N2O2 — CID 22941487

IUPACN-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide
SMILESCC(C)(C)NC(=O)[C@H](C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-26(2,3)27-24(29)23(21-15-9-5-10-16-21)28(19-20-13-7-4-8-14-20)25(30)22-17-11-6-12-18-22/h4,6-8,11-14,17-18,21,23H,5,9-10,15-16,19H2,1-3H3,(H,27,29)/t23-/m0/s1
InChIKeyPSYVIIGNCYCMRA-QHCPKHFHSA-N
MW406.57 g/mol
LogP5.19
Rot. Bonds6

About N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide

N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide (PubChem CID 22941487) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide
PubChem CID22941487
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide
SMILESCC(C)(C)NC(=O)[C@H](C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccc1
InChIInChI=1S/C26H34N2O2/c1-26(2,3)27-24(29)23(21-15-9-5-10-16-21)28(19-20-13-7-4-8-14-20)25(30)22-17-11-6-12-18-22/h4,6-8,11-14,17-18,21,23H,5,9-10,15-16,19H2,1-3H3,(H,27,29)/t23-/m0/s1
InChIKeyPSYVIIGNCYCMRA-QHCPKHFHSA-N
XLogP5.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-[2-(cyclohexylamino)-1-(6-methylcyclohex-3-en-1-yl)-2-oxoethyl]benzamide
CID 166332777
N-[2-(benzylamino)-1-cyclohexyl-2-oxoethyl]-N-prop-2-ynylbenzamide
CID 155088094
N-benzyl-N-[2-(cyclohexylamino)-2-oxo-1-pyrazin-2-ylethyl]benzamide
CID 166332781
2-[benzyl-(2-phenylacetyl)amino]-N,N'-ditert-butylpropanediamide
CID 11004638
N-benzyl-N-[1-(3-bromophenyl)-2-(cyclohexylamino)-2-oxoethyl]-N'-tert-butyl-2,2-dimethylpropanediamide
CID 154926601
3-[benzoyl-[[4-(phosphonomethyl)phenyl]methyl]amino]-3-cyclohexylpropanoic acid
CID 23734342
2-[benzyl(formyl)amino]-2-cyclohexylacetic acid
CID 18954405
N-benzyl-4-chloro-N-[(1S)-1-cyclopropylethyl]benzamide
CID 92643816
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 132988725
N-[(2R)-1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]-N-propylbenzamide
CID 92982082
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
(2S)-2-[benzyl(butanoyl)amino]-N-cyclohexylbutanamide
CID 100528481

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide?
The IUPAC name of N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide (CID 22941487) is N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide.
What is the SMILES notation for N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide?
The canonical SMILES for N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide is CC(C)(C)NC(=O)[C@H](C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccc1.
What is the InChIKey of N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide?
The InChIKey is PSYVIIGNCYCMRA-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-26(2,3)27-24(29)23(21-15-9-5-10-16-21)28(19-20-13-7-4-8-14-20)25(30)22-17-11-6-12-18-22/h4,6-8,11-14,17-18,21,23H,5,9-10,15-16,19H2,1-3H3,(H,27,29)/t23-/m0/s1.
What are the key properties of N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide?
N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide has a molecular weight of 406.57 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(1S)-2-(tert-butylamino)-1-cyclohexyl-2-oxoethyl]benzamide is sourced from PubChem (CID 22941487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).