3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide

C16H25N3O3 — CID 145316338

IUPAC3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide
SMILESCCCOc1c(C)cc(C(=O)NC)cc1OC/C(N)=C/NC
InChIInChI=1S/C16H25N3O3/c1-5-6-21-15-11(2)7-12(16(20)19-4)8-14(15)22-10-13(17)9-18-3/h7-9,18H,5-6,10,17H2,1-4H3,(H,19,20)/b13-9-
InChIKeyCQIACDZXMWESBZ-LCYFTJDESA-N
MW307.39 g/mol
LogP1.54
Rot. Bonds8

About 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide

3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide (PubChem CID 145316338) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide.

Molecular Properties

Compound Name3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide
PubChem CID145316338
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide
SMILESCCCOc1c(C)cc(C(=O)NC)cc1OC/C(N)=C/NC
InChIInChI=1S/C16H25N3O3/c1-5-6-21-15-11(2)7-12(16(20)19-4)8-14(15)22-10-13(17)9-18-3/h7-9,18H,5-6,10,17H2,1-4H3,(H,19,20)/b13-9-
InChIKeyCQIACDZXMWESBZ-LCYFTJDESA-N
XLogP1.54
TPSA85.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3,4,5-tripropoxybenzoate
CID 19820325
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
N-methyl-6-propoxypyridine-3-carboxamide
CID 66904923
3-ethoxy-N,4-dimethylbenzamide
CID 59678322
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
ethyl 4-bromo-3-methyl-5-propoxybenzoate
CID 134593928
1,2,3,4,5-pentapropoxybenzene
CID 91365553
propyl N-[2-methyl-5-(methylcarbamoyl)phenyl]carbamate
CID 112738727
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
(1E,6E)-1,7-bis[3,4-bis(2-aminoethoxy)-5-propoxyphenyl]hepta-1,6-diene-3,5-dione
CID 160746147
2,5-dipropoxybenzene-1,4-dicarbohydrazide;propane
CID 155712909
4-fluoro-N-methyl-2-propoxybenzamide
CID 176894909

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide?
The IUPAC name of 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide (CID 145316338) is 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide.
What is the SMILES notation for 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide?
The canonical SMILES for 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide is CCCOc1c(C)cc(C(=O)NC)cc1OC/C(N)=C/NC.
What is the InChIKey of 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide?
The InChIKey is CQIACDZXMWESBZ-LCYFTJDESA-N. The full InChI is InChI=1S/C16H25N3O3/c1-5-6-21-15-11(2)7-12(16(20)19-4)8-14(15)22-10-13(17)9-18-3/h7-9,18H,5-6,10,17H2,1-4H3,(H,19,20)/b13-9-.
What are the key properties of 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide?
3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide has a molecular weight of 307.39 g/mol, XLogP of 1.54, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-amino-3-(methylamino)prop-2-enoxy]-N,5-dimethyl-4-propoxybenzamide is sourced from PubChem (CID 145316338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).