N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide

C17H19NO3 — CID 878899

IUPACN-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide
SMILESCCOc1ccc([C@H](NC=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-16-10-6-14(7-11-16)17(18-12-19)13-4-8-15(20-2)9-5-13/h4-12,17H,3H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyXSURRNXJEJFGIU-QGZVFWFLSA-N
MW285.34 g/mol
LogP2.93
Rot. Bonds7

About N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide

N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide (PubChem CID 878899) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide.

Molecular Properties

Compound NameN-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide
PubChem CID878899
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide
SMILESCCOc1ccc([C@H](NC=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-3-21-16-10-6-14(7-11-16)17(18-12-19)13-4-8-15(20-2)9-5-13/h4-12,17H,3H2,1-2H3,(H,18,19)/t17-/m1/s1
InChIKeyXSURRNXJEJFGIU-QGZVFWFLSA-N
XLogP2.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(S)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878876
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]acetamide
CID 878875
2-(4-ethoxyphenyl)propanedial
CID 3698706
N-[1-(4-methoxyphenyl)ethyl]formamide
CID 3115584
2-[4-[(S)-(2,4-dimethoxyphenyl)-formamidomethyl]phenoxy]acetic acid
CID 87765719
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
1-(3-ethoxyphenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 60819656
1-(2-bromo-4-methoxyphenyl)-1-(4-ethoxyphenyl)-N-methylmethanamine
CID 60786122
N-[1-(4-ethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 22204767
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-4-methoxybenzamide
CID 880654
N-[(4-ethoxyphenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 43489444
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide?
The IUPAC name of N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide (CID 878899) is N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide.
What is the SMILES notation for N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide?
The canonical SMILES for N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide is CCOc1ccc([C@H](NC=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide?
The InChIKey is XSURRNXJEJFGIU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-21-16-10-6-14(7-11-16)17(18-12-19)13-4-8-15(20-2)9-5-13/h4-12,17H,3H2,1-2H3,(H,18,19)/t17-/m1/s1.
What are the key properties of N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide?
N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide has a molecular weight of 285.34 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-ethoxyphenyl)-(4-methoxyphenyl)methyl]formamide is sourced from PubChem (CID 878899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).