(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide

C18H29N3O2 — CID 119853237

IUPAC(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)16(19)17(22)20-13-15(14-7-5-4-6-8-14)21-9-11-23-12-10-21/h4-8,15-16H,9-13,19H2,1-3H3,(H,20,22)/t15?,16-/m1/s1
InChIKeyJBBHZEZXXYYTPD-OEMAIJDKSA-N
MW319.45 g/mol
LogP1.55
Rot. Bonds5

About (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide

(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide (PubChem CID 119853237) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
PubChem CID119853237
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
SMILESCC(C)(C)[C@H](N)C(=O)NCC(c1ccccc1)N1CCOCC1
InChIInChI=1S/C18H29N3O2/c1-18(2,3)16(19)17(22)20-13-15(14-7-5-4-6-8-14)21-9-11-23-12-10-21/h4-8,15-16H,9-13,19H2,1-3H3,(H,20,22)/t15?,16-/m1/s1
InChIKeyJBBHZEZXXYYTPD-OEMAIJDKSA-N
XLogP1.55
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide
CID 119859917
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpropanamide;dihydrochloride
CID 119853212
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
(2S)-2-amino-N-(2-amino-2-phenylethyl)-3,3-dimethylbutanamide
CID 122080430
(2R)-2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]propanamide
CID 119867147
4-amino-3-methoxy-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 120595532
N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2,2-diphenylacetamide
CID 2467575
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
2-(dimethylamino)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-phenylacetamide
CID 110621774
2-amino-N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119867130
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
The IUPAC name of (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide (CID 119853237) is (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide.
What is the SMILES notation for (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
The canonical SMILES for (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide is CC(C)(C)[C@H](N)C(=O)NCC(c1ccccc1)N1CCOCC1.
What is the InChIKey of (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
The InChIKey is JBBHZEZXXYYTPD-OEMAIJDKSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-18(2,3)16(19)17(22)20-13-15(14-7-5-4-6-8-14)21-9-11-23-12-10-21/h4-8,15-16H,9-13,19H2,1-3H3,(H,20,22)/t15?,16-/m1/s1.
What are the key properties of (2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide?
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide has a molecular weight of 319.45 g/mol, XLogP of 1.55, 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-morpholin-4-yl-2-phenylethyl)butanamide is sourced from PubChem (CID 119853237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).