4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide

C21H32N2O2 — CID 6938267

IUPAC4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H32N2O2/c1-15-7-5-6-8-18(15)23-19(24)13-14-22-20(25)16-9-11-17(12-10-16)21(2,3)4/h9-12,15,18H,5-8,13-14H2,1-4H3,(H,22,25)(H,23,24)/t15-,18+/m1/s1
InChIKeyLXTAVUIXXKBXLE-QAPCUYQASA-N
MW344.50 g/mol
LogP3.80
Rot. Bonds5

About 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide

4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide (PubChem CID 6938267) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
PubChem CID6938267
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Name4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C21H32N2O2/c1-15-7-5-6-8-18(15)23-19(24)13-14-22-20(25)16-9-11-17(12-10-16)21(2,3)4/h9-12,15,18H,5-8,13-14H2,1-4H3,(H,22,25)(H,23,24)/t15-,18+/m1/s1
InChIKeyLXTAVUIXXKBXLE-QAPCUYQASA-N
XLogP3.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide with MolForge

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Related Compounds

N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]-1,3-benzodioxole-5-carboxamide
CID 4055032
4-chloro-N-[3-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 11920009
N-(2-methylcyclohexyl)-3-[(2-phenylacetyl)amino]propanamide
CID 24593173
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
4-tert-butyl-N-[3-oxo-3-(piperidin-3-ylamino)propyl]benzamide
CID 119426239
1-N,4-N-bis[(1S,2R)-2-methylcyclohexyl]benzene-1,4-dicarboxamide
CID 124805645
3-(carbamoylamino)-N-(2-methylcyclohexyl)propanamide
CID 47116548
4-tert-butyl-N-[(1R,2S)-2-[(4-tert-butylbenzoyl)amino]cyclohexyl]benzamide
CID 7311333
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880431
4-tert-butyl-N-[3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 32541124

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide (CID 6938267) is 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide is C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
The InChIKey is LXTAVUIXXKBXLE-QAPCUYQASA-N. The full InChI is InChI=1S/C21H32N2O2/c1-15-7-5-6-8-18(15)23-19(24)13-14-22-20(25)16-9-11-17(12-10-16)21(2,3)4/h9-12,15,18H,5-8,13-14H2,1-4H3,(H,22,25)(H,23,24)/t15-,18+/m1/s1.
What are the key properties of 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide?
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide has a molecular weight of 344.50 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 6938267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).