N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide

C20H26N2O3 — CID 7406846

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
SMILESCCN(c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1)C(C)C
InChIInChI=1S/C20H26N2O3/c1-6-22(14(2)3)17-9-7-16(8-10-17)21-20(23)15-11-18(24-4)13-19(12-15)25-5/h7-14H,6H2,1-5H3,(H,21,23)
InChIKeyPTOMHRANLRVVPW-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.19
Rot. Bonds7

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide (PubChem CID 7406846) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
PubChem CID7406846
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
SMILESCCN(c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1)C(C)C
InChIInChI=1S/C20H26N2O3/c1-6-22(14(2)3)17-9-7-16(8-10-17)21-20(23)15-11-18(24-4)13-19(12-15)25-5/h7-14H,6H2,1-5H3,(H,21,23)
InChIKeyPTOMHRANLRVVPW-UHFFFAOYSA-N
XLogP4.19
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
4-(diethylamino)-N-(4-methoxyphenyl)benzamide
CID 23965088
4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 18106356
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
N-[4-(difluoromethylsulfonyl)phenyl]-3,5-dimethoxybenzamide
CID 2671265
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000
N-[3-(carbamoylamino)phenyl]-4-[ethyl(propan-2-yl)amino]benzamide
CID 75405974
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26509899
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide (CID 7406846) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide is CCN(c1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is PTOMHRANLRVVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-22(14(2)3)17-9-7-16(8-10-17)21-20(23)15-11-18(24-4)13-19(12-15)25-5/h7-14H,6H2,1-5H3,(H,21,23).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 342.44 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 7406846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).