(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide

C15H29N3O2 — CID 82961708

IUPAC(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-10(2)14(16)15(20)17-9-13(19)18-11(3)12-7-5-4-6-8-12/h10-12,14H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)/t11-,14+/m1/s1
InChIKeyJJLVAQDHRHQXRD-RISCZKNCSA-N
MW283.42 g/mol
LogP1.17
Rot. Bonds6

About (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide

(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide (PubChem CID 82961708) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
PubChem CID82961708
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide
SMILESCC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C1CCCCC1
InChIInChI=1S/C15H29N3O2/c1-10(2)14(16)15(20)17-9-13(19)18-11(3)12-7-5-4-6-8-12/h10-12,14H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)/t11-,14+/m1/s1
InChIKeyJJLVAQDHRHQXRD-RISCZKNCSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide with MolForge

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Related Compounds

(2R)-2-amino-N-[(1R)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390053
(2R)-2-amino-N-[(1S)-1-cyclopentylethyl]-3-methylbutanamide
CID 81390017
(2S)-2-amino-3-methyl-N-[2-oxo-2-(thiolan-3-ylamino)ethyl]butanamide
CID 113345692
2-amino-N-[(1R)-1-cyclohexylethyl]acetamide
CID 81386621
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
(2S)-2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-3-methylbutanamide
CID 119850509
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
2-(cyclopentylamino)-N-[(1R)-1-cyclopentylethyl]acetamide
CID 81389612
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]propanamide
CID 81392560
(2S)-2-amino-N-(1-cyclohexylethyl)propanamide
CID 62405260
N-[(1S)-1-cyclohexylethyl]-2-propan-2-yloxyacetamide
CID 103940569
N-[(1S)-1-cycloheptylethyl]-2-(propylamino)acetamide
CID 81393460

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide?
The IUPAC name of (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide (CID 82961708) is (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide is CC(C)[C@H](N)C(=O)NCC(=O)N[C@H](C)C1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide?
The InChIKey is JJLVAQDHRHQXRD-RISCZKNCSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-10(2)14(16)15(20)17-9-13(19)18-11(3)12-7-5-4-6-8-12/h10-12,14H,4-9,16H2,1-3H3,(H,17,20)(H,18,19)/t11-,14+/m1/s1.
What are the key properties of (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide?
(2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide has a molecular weight of 283.42 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[(1R)-1-cyclohexylethyl]amino]-2-oxoethyl]-3-methylbutanamide is sourced from PubChem (CID 82961708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).