2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide

C14H22N2O2 — CID 110460128

IUPAC2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(15)13(17)16-9-11-5-7-12(8-6-11)18-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyHQIAGQHUUWNMEA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide

2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide (PubChem CID 110460128) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
PubChem CID110460128
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
SMILESCC(N)C(=O)NCc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C14H22N2O2/c1-10(15)13(17)16-9-11-5-7-12(8-6-11)18-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17)
InChIKeyHQIAGQHUUWNMEA-UHFFFAOYSA-N
XLogP1.83
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
2-amino-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 115152374
[4-[(2-aminopropanoylamino)methyl]phenyl] N-tert-butylcarbamate
CID 174977406
2-amino-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]propanamide;hydrochloride
CID 119277641
(2R)-2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]propanamide
CID 107231247
(2S)-2-amino-3,3-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61260128
(2S)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]propanamide;hydrochloride
CID 119276428
(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
2-amino-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pentanamide
CID 61258507
(2R)-2-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]propanamide;hydrochloride
CID 119297040
(2S)-N-[(4-acetamidophenyl)methyl]-2-aminopropanamide
CID 78969011
(2R)-2-amino-N-[[4-(phenylmethoxymethyl)phenyl]methyl]propanamide
CID 119286412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide?
The IUPAC name of 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide (CID 110460128) is 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide.
What is the SMILES notation for 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide?
The canonical SMILES for 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide is CC(N)C(=O)NCc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide?
The InChIKey is HQIAGQHUUWNMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(15)13(17)16-9-11-5-7-12(8-6-11)18-14(2,3)4/h5-8,10H,9,15H2,1-4H3,(H,16,17).
What are the key properties of 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide?
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide is sourced from PubChem (CID 110460128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).