(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide

C18H30N2O — CID 22690911

IUPAC(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H30N2O/c1-7-13(6)16(19)18(21)20-17-14(11(2)3)9-8-10-15(17)12(4)5/h8-13,16H,7,19H2,1-6H3,(H,20,21)/t13?,16-/m0/s1
InChIKeyRYUVUXLDHIUDOX-VYIIXAMBSA-N
MW290.45 g/mol
LogP4.25
Rot. Bonds6

About (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide

(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide (PubChem CID 22690911) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
PubChem CID22690911
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide
SMILESCCC(C)[C@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C18H30N2O/c1-7-13(6)16(19)18(21)20-17-14(11(2)3)9-8-10-15(17)12(4)5/h8-13,16H,7,19H2,1-6H3,(H,20,21)/t13?,16-/m0/s1
InChIKeyRYUVUXLDHIUDOX-VYIIXAMBSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-ethylphenyl)-3-methylpentanamide
CID 24700876
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
(2S,3S)-2-amino-N-(4,6-dichloropyrimidin-5-yl)-3-methylpentanamide
CID 114074252
(2S)-2-amino-3-methyl-N-(2,4,6-trichlorophenyl)pentanamide
CID 61173513
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
methyl N-[3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]carbamate
CID 61179978
2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602659
(2S)-2-amino-N-(2-hydroxy-3-methylphenyl)-3-methylpentanamide
CID 79602661
(2S,3S)-2-amino-N-(5-hydroxynaphthalen-1-yl)-3-methylpentanamide
CID 61180080
(2S,3S)-2-amino-N-(2-fluoro-6-nitrophenyl)-3-methylpentanamide
CID 81309749
(2S)-2-amino-N-(2-cyano-6-methoxyphenyl)-3-methylpentanamide
CID 107467870
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide (CID 22690911) is (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide is CCC(C)[C@H](N)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide?
The InChIKey is RYUVUXLDHIUDOX-VYIIXAMBSA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-13(6)16(19)18(21)20-17-14(11(2)3)9-8-10-15(17)12(4)5/h8-13,16H,7,19H2,1-6H3,(H,20,21)/t13?,16-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide?
(2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2,6-di(propan-2-yl)phenyl]-3-methylpentanamide is sourced from PubChem (CID 22690911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).