(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide

C19H31N3O2 — CID 119859917

IUPAC(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCc1ccc(C(CNC(=O)[C@@H](N)C(C)(C)C)N2CCOCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-14-5-7-15(8-6-14)16(22-9-11-24-12-10-22)13-21-18(23)17(20)19(2,3)4/h5-8,16-17H,9-13,20H2,1-4H3,(H,21,23)/t16?,17-/m1/s1
InChIKeyWNHVPRSXWPJRSS-ZYMOGRSISA-N
MW333.48 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide

(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide (PubChem CID 119859917) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
PubChem CID119859917
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
SMILESCc1ccc(C(CNC(=O)[C@@H](N)C(C)(C)C)N2CCOCC2)cc1
InChIInChI=1S/C19H31N3O2/c1-14-5-7-15(8-6-14)16(22-9-11-24-12-10-22)13-21-18(23)17(20)19(2,3)4/h5-8,16-17H,9-13,20H2,1-4H3,(H,21,23)/t16?,17-/m1/s1
InChIKeyWNHVPRSXWPJRSS-ZYMOGRSISA-N
XLogP1.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]pentanamide;dihydrochloride
CID 120564908
2-(dimethylamino)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-phenylacetamide
CID 110621774
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360
1-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119859906
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
1-cyclopropyl-3-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 51710229
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 119867125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide (CID 119859917) is (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide is Cc1ccc(C(CNC(=O)[C@@H](N)C(C)(C)C)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide?
The InChIKey is WNHVPRSXWPJRSS-ZYMOGRSISA-N. The full InChI is InChI=1S/C19H31N3O2/c1-14-5-7-15(8-6-14)16(22-9-11-24-12-10-22)13-21-18(23)17(20)19(2,3)4/h5-8,16-17H,9-13,20H2,1-4H3,(H,21,23)/t16?,17-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide?
(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide has a molecular weight of 333.48 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide is sourced from PubChem (CID 119859917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).