N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide

C14H22N2O2 — CID 87919991

IUPACN-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)[C@@](C)(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)18-16(11-17)14(4,15)10-12-8-6-5-7-9-12/h5-9,11H,10,15H2,1-4H3/t14-/m1/s1
InChIKeyBWYWZELYDJLJHK-CQSZACIVSA-N
MW250.34 g/mol
LogP2.09
Rot. Bonds5

About N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 87919991) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID87919991
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)[C@@](C)(N)Cc1ccccc1
InChIInChI=1S/C14H22N2O2/c1-13(2,3)18-16(11-17)14(4,15)10-12-8-6-5-7-9-12/h5-9,11H,10,15H2,1-4H3/t14-/m1/s1
InChIKeyBWYWZELYDJLJHK-CQSZACIVSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[formyl-[(2-methylpropan-2-yl)oxy]amino]-2-(methoxymethyl)-3-(4-phenylphenyl)propanamide
CID 57098978
2,2-dimethoxy-3-phenylpropanal
CID 12836204
N-[(2-methylpropan-2-yl)oxy]-N-[(4-phenylphenyl)methyl]formamide
CID 87102955
benzoic acid;1,1-dimethoxy-2-phenylethanamine
CID 70260475
(2-methoxy-2-methylpropyl)benzene
CID 3842751
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
2-(dibenzylamino)-2-methoxy-3-phenylpropanal
CID 57243859
tert-butyl N-benzyl-N-formylcarbamate
CID 53419906
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 87919991) is N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)[C@@](C)(N)Cc1ccccc1.
What is the InChIKey of N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is BWYWZELYDJLJHK-CQSZACIVSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,3)18-16(11-17)14(4,15)10-12-8-6-5-7-9-12/h5-9,11H,10,15H2,1-4H3/t14-/m1/s1.
What are the key properties of N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 250.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-amino-1-phenylpropan-2-yl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 87919991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).