N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide

C17H20N2O3 — CID 43822825

IUPACN-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(C)N)cc2)c1
InChIInChI=1S/C17H20N2O3/c1-11(18)12-4-6-14(7-5-12)19-17(20)13-8-15(21-2)10-16(9-13)22-3/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyYCICLWGWXKGHGU-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.98
Rot. Bonds5

About N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide

N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide (PubChem CID 43822825) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
PubChem CID43822825
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(C)N)cc2)c1
InChIInChI=1S/C17H20N2O3/c1-11(18)12-4-6-14(7-5-12)19-17(20)13-8-15(21-2)10-16(9-13)22-3/h4-11H,18H2,1-3H3,(H,19,20)
InChIKeyYCICLWGWXKGHGU-UHFFFAOYSA-N
XLogP2.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3,5-dimethoxy-N-(3-propan-2-ylphenyl)benzamide
CID 24636290
N-[4-(1-aminoethyl)phenyl]-2,4,5-trimethoxybenzamide
CID 119625597
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[4-(1-aminoethyl)phenyl]-2,6-dimethoxybenzamide
CID 43822918
N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
[3-acetyloxy-5-[(4-propan-2-ylphenyl)carbamoyl]phenyl] acetate
CID 2975179
N-[4-(cycloheptylamino)phenyl]-3,5-dimethoxybenzamide
CID 112984993
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide (CID 43822825) is N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(C(C)N)cc2)c1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is YCICLWGWXKGHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(18)12-4-6-14(7-5-12)19-17(20)13-8-15(21-2)10-16(9-13)22-3/h4-11H,18H2,1-3H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide?
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 43822825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).