1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide

C19H34N2O2 — CID 59033305

IUPAC1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H](CC1CCCC1)C1(C(N)=O)CCCCC1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)21-16(22)15(13-14-9-5-6-10-14)19(17(20)23)11-7-4-8-12-19/h14-15H,4-13H2,1-3H3,(H2,20,23)(H,21,22)/t15-/m0/s1
InChIKeyLJGOXBQEGRMNPI-HNNXBMFYSA-N
MW322.49 g/mol
LogP3.53
Rot. Bonds5

About 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide

1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide (PubChem CID 59033305) has the molecular formula C19H34N2O2 and a molecular weight of 322.49 g/mol. Its IUPAC name is 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
PubChem CID59033305
Molecular FormulaC19H34N2O2
Molecular Weight322.49 g/mol
Exact Mass322.26
IUPAC Name1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide
SMILESCC(C)(C)NC(=O)[C@H](CC1CCCC1)C1(C(N)=O)CCCCC1
InChIInChI=1S/C19H34N2O2/c1-18(2,3)21-16(22)15(13-14-9-5-6-10-14)19(17(20)23)11-7-4-8-12-19/h14-15H,4-13H2,1-3H3,(H2,20,23)(H,21,22)/t15-/m0/s1
InChIKeyLJGOXBQEGRMNPI-HNNXBMFYSA-N
XLogP3.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.49
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide (CID 59033305) is 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide is CC(C)(C)NC(=O)[C@H](CC1CCCC1)C1(C(N)=O)CCCCC1.
What is the InChIKey of 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
The InChIKey is LJGOXBQEGRMNPI-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H34N2O2/c1-18(2,3)21-16(22)15(13-14-9-5-6-10-14)19(17(20)23)11-7-4-8-12-19/h14-15H,4-13H2,1-3H3,(H2,20,23)(H,21,22)/t15-/m0/s1.
What are the key properties of 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide?
1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide has a molecular weight of 322.49 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-(tert-butylamino)-3-cyclopentyl-1-oxopropan-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 59033305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).