(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide

C18H28N2O — CID 61180622

IUPAC(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H28N2O/c1-4-12(2)17(19)18(21)20-13(3)15-10-9-14-7-5-6-8-16(14)11-15/h9-13,17H,4-8,19H2,1-3H3,(H,20,21)/t12-,13?,17-/m0/s1
InChIKeyVSBROWCYOJKZMO-NKGYKZILSA-N
MW288.44 g/mol
LogP3.12
Rot. Bonds5

About (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide

(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide (PubChem CID 61180622) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
PubChem CID61180622
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide
SMILESCC[C@H](C)[C@H](N)C(=O)NC(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H28N2O/c1-4-12(2)17(19)18(21)20-13(3)15-10-9-14-7-5-6-8-16(14)11-15/h9-13,17H,4-8,19H2,1-3H3,(H,20,21)/t12-,13?,17-/m0/s1
InChIKeyVSBROWCYOJKZMO-NKGYKZILSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 54995740
3-chloro-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62727577
3-(ethylamino)-2-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 62851480
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
(2S)-2-amino-3-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 119272187
2-amino-3-methyl-N-(1-naphthalen-2-ylethyl)pentanamide
CID 119685967
(2S)-2-amino-N-[(1S)-1-(3-bromophenyl)ethyl]-3-methylpentanamide
CID 81376335
(2S,3S)-2-amino-N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-methylpentanamide
CID 61178175
2-amino-3-methyl-N-(1-phenylethyl)pentanamide
CID 21475942
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 11565273
(2S)-2-pyrrol-1-yl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 97020916
(2S,3S)-2-amino-3-methyl-N-[(1R)-1-phenylethyl]pentanamide;hydrochloride
CID 11565272

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide?
The IUPAC name of (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide (CID 61180622) is (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide is CC[C@H](C)[C@H](N)C(=O)NC(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide?
The InChIKey is VSBROWCYOJKZMO-NKGYKZILSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-12(2)17(19)18(21)20-13(3)15-10-9-14-7-5-6-8-16(14)11-15/h9-13,17H,4-8,19H2,1-3H3,(H,20,21)/t12-,13?,17-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide?
(2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide has a molecular weight of 288.44 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-methyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]pentanamide is sourced from PubChem (CID 61180622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).