4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide

C17H20N2O2 — CID 82069733

IUPAC4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-17(20)14-8-9-15(18)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeyCTAKYPMIGWFDEG-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.99
Rot. Bonds5

About 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide

4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide (PubChem CID 82069733) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
PubChem CID82069733
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N)c(OCc2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-12(2)19-17(20)14-8-9-15(18)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3,(H,19,20)
InChIKeyCTAKYPMIGWFDEG-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 146673288
ethyl 4-amino-3-phenylmethoxybenzoate
CID 79021529
4-amino-3-butoxy-N-propan-2-ylbenzamide
CID 82069845
(3-aminophenyl)-(4-amino-3-phenylmethoxyphenyl)methanone
CID 175194329
3-(naphthalen-1-yloxymethyl)-N-propan-2-ylbenzamide
CID 891835
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
[2-oxo-2-(propan-2-ylamino)ethyl] 3-methoxy-4-phenylmethoxybenzoate
CID 55306280
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
3-[[2-(2-phenylmethoxyanilino)acetyl]amino]-N-propan-2-ylbenzamide
CID 54827989
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
3-amino-4-(2-methylpropoxy)-N-propan-2-ylbenzamide
CID 82070404
tert-butyl (2S)-2-[[4-amino-3-(2-phenylethoxy)benzoyl]amino]-4-phenylbutanoate
CID 90371499

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide?
The IUPAC name of 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide (CID 82069733) is 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide?
The canonical SMILES for 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N)c(OCc2ccccc2)c1.
What is the InChIKey of 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide?
The InChIKey is CTAKYPMIGWFDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)19-17(20)14-8-9-15(18)16(10-14)21-11-13-6-4-3-5-7-13/h3-10,12H,11,18H2,1-2H3,(H,19,20).
What are the key properties of 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide?
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide is sourced from PubChem (CID 82069733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).