N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

C21H26N2O4 — CID 119616315

IUPACN-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-25-18-10-16(21(24)23-17(12-22)15-8-9-15)11-19(26-2)20(18)27-13-14-6-4-3-5-7-14/h3-7,10-11,15,17H,8-9,12-13,22H2,1-2H3,(H,23,24)
InChIKeyACSGZJYOOUILNR-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.75
Rot. Bonds9

About N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide

N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 119616315) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID119616315
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NC(CN)C2CC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C21H26N2O4/c1-25-18-10-16(21(24)23-17(12-22)15-8-9-15)11-19(26-2)20(18)27-13-14-6-4-3-5-7-14/h3-7,10-11,15,17H,8-9,12-13,22H2,1-2H3,(H,23,24)
InChIKeyACSGZJYOOUILNR-UHFFFAOYSA-N
XLogP2.75
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 119614010
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
CID 119589329
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
3,5-dimethoxy-N-[(2S)-3-methoxy-1-oxo-1-(piperidin-4-ylamino)propan-2-yl]-4-phenylmethoxybenzamide
CID 11719777
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate
CID 142728752
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 119616315) is N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NC(CN)C2CC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is ACSGZJYOOUILNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-25-18-10-16(21(24)23-17(12-22)15-8-9-15)11-19(26-2)20(18)27-13-14-6-4-3-5-7-14/h3-7,10-11,15,17H,8-9,12-13,22H2,1-2H3,(H,23,24).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 370.45 g/mol, XLogP of 2.75, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 119616315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).