N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide

C21H25NO5 — CID 48584262

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(COCC3CC3)c2)cc(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-24-18-10-16(11-19(25-2)20(18)26-3)21(23)22-17-6-4-5-15(9-17)13-27-12-14-7-8-14/h4-6,9-11,14H,7-8,12-13H2,1-3H3,(H,22,23)
InChIKeyAVODOJLZBNVEHO-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.89
Rot. Bonds9

About N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide

N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 48584262) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
PubChem CID48584262
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccc(COCC3CC3)c2)cc(OC)c1OC
InChIInChI=1S/C21H25NO5/c1-24-18-10-16(11-19(25-2)20(18)26-3)21(23)22-17-6-4-5-15(9-17)13-27-12-14-7-8-14/h4-6,9-11,14H,7-8,12-13H2,1-3H3,(H,22,23)
InChIKeyAVODOJLZBNVEHO-UHFFFAOYSA-N
XLogP3.89
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
4-(cyclopropanecarbonylamino)-N-[3-(cyclopropylmethoxymethyl)phenyl]benzamide
CID 48584588
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[3-(oxan-2-ylmethoxymethyl)phenyl]benzamide
CID 55807172
N-[3-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408851
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
CID 52765186
3,4,5-trimethoxy-N-[3-[(2-phenylacetyl)amino]phenyl]benzamide
CID 17235540
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 48584384
N-[3-(cyclopropylmethoxymethyl)phenyl]-5-ethyl-2-hydroxybenzamide
CID 56552661
4-(4-cyano-2-methoxyphenoxy)-N-[3-(cyclopropylmethoxymethyl)phenyl]butanamide
CID 48585204
5-[(2-cyanophenoxy)methyl]-N-[3-(cyclopropylmethoxymethyl)phenyl]furan-2-carboxamide
CID 48585316
4-amino-N-[3-(cyclopropylmethoxymethyl)phenyl]pentanamide
CID 120561459
1-[3-(cyclopropylmethoxymethyl)phenyl]-3-(1-hydroxypropan-2-yl)urea
CID 110907808

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide (CID 48584262) is N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccc(COCC3CC3)c2)cc(OC)c1OC.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is AVODOJLZBNVEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-24-18-10-16(11-19(25-2)20(18)26-3)21(23)22-17-6-4-5-15(9-17)13-27-12-14-7-8-14/h4-6,9-11,14H,7-8,12-13H2,1-3H3,(H,22,23).
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide?
N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 371.43 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 48584262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).