(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide

C17H34N2O — CID 103928588

IUPAC(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
SMILESCCC(C)(C)C1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-7-17(5,6)12-8-10-13(11-9-12)19-15(20)14(18)16(2,3)4/h12-14H,7-11,18H2,1-6H3,(H,19,20)/t12?,13?,14-/m0/s1
InChIKeyJJUJOODIRYDTFN-RUXDESIVSA-N
MW282.47 g/mol
LogP3.47
Rot. Bonds4

About (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide

(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide (PubChem CID 103928588) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide.

Molecular Properties

Compound Name(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
PubChem CID103928588
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
SMILESCCC(C)(C)C1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1
InChIInChI=1S/C17H34N2O/c1-7-17(5,6)12-8-10-13(11-9-12)19-15(20)14(18)16(2,3)4/h12-14H,7-11,18H2,1-6H3,(H,19,20)/t12?,13?,14-/m0/s1
InChIKeyJJUJOODIRYDTFN-RUXDESIVSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2S)-2-[[(2S)-2-(3-cyclohexylpropylamino)pentanoyl]amino]pentanoyl]amino]-4-methylpentanamide
CID 11744611
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-(3-cyclohexylpropylamino)-2-methylpentanamide
CID 44306672
(S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methyl-propionylamino]-pentanoylamino}-4-methyl-pentanoic acid amide
CID 44307119
Pentanamide, 2-amino-N-dodecyl-4-methyl-, (2S)-
CID 53958672
(R)-2-Amino-N-(cyclohexylmethyl)-3-methylbutanamide
CID 54757478
N-Dodecyl-L-valinamide
CID 71400476
(2S)-2-amino-N-dodecyl-3-methylpentanamide
CID 88629494
(2S)-2-amino-N-[(2S)-1-(butylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-methylbutanamide
CID 10758455
(S)-2-{(S)-2-[(R)-2-(3-Cyclohexyl-propylamino)-butyrylamino]-pentanoylamino}-4-methyl-pentanoic acid amide
CID 44307132
Acetamide,N-[4-(1,1-dimethylethyl)cyclohexyl]-
CID 297770
l-Isoleucylaminooctadecane
CID 87903240
Leucine octadecyl amide
CID 88614056

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide?
The IUPAC name of (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide (CID 103928588) is (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide.
What is the SMILES notation for (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide?
The canonical SMILES for (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide is CCC(C)(C)C1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1.
What is the InChIKey of (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide?
The InChIKey is JJUJOODIRYDTFN-RUXDESIVSA-N. The full InChI is InChI=1S/C17H34N2O/c1-7-17(5,6)12-8-10-13(11-9-12)19-15(20)14(18)16(2,3)4/h12-14H,7-11,18H2,1-6H3,(H,19,20)/t12?,13?,14-/m0/s1.
What are the key properties of (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide?
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide has a molecular weight of 282.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide is sourced from PubChem (CID 103928588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).