(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide

C16H24N2O2 — CID 103929366

IUPAC(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14(17)15(20)18(12-7-8-12)10-11-5-4-6-13(19)9-11/h4-6,9,12,14,19H,7-8,10,17H2,1-3H3/t14-/m0/s1
InChIKeyYHIZRABFXGRKCJ-AWEZNQCLSA-N
MW276.38 g/mol
LogP2.26
Rot. Bonds4

About (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide

(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 103929366) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
PubChem CID103929366
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)[C@@H](N)C(=O)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)14(17)15(20)18(12-7-8-12)10-11-5-4-6-13(19)9-11/h4-6,9,12,14,19H,7-8,10,17H2,1-3H3/t14-/m0/s1
InChIKeyYHIZRABFXGRKCJ-AWEZNQCLSA-N
XLogP2.26
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 76895226
(2S)-2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3,3-dimethylbutanamide
CID 61165442
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
(2S)-2-amino-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 61165604
(2R)-2-amino-N-cyclopropyl-3,3-dimethyl-N-(thiophen-2-ylmethyl)butanamide
CID 113353364
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
2-amino-N-cyclopropyl-3,3-dimethyl-N-(pyridin-2-ylmethyl)butanamide
CID 76895282
(2S)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197422
(2R)-N-cyclopropyl-2-(dimethylamino)-2-(3-fluorophenyl)-N-[(3-hydroxyphenyl)methyl]acetamide
CID 97197423

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide (CID 103929366) is (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide is CC(C)(C)[C@@H](N)C(=O)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is YHIZRABFXGRKCJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)14(17)15(20)18(12-7-8-12)10-11-5-4-6-13(19)9-11/h4-6,9,12,14,19H,7-8,10,17H2,1-3H3/t14-/m0/s1.
What are the key properties of (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide?
(2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 103929366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).