N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide

C16H19NO3 — CID 87698457

IUPACN-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC2CC2)c(CC)c1OC
InChIInChI=1S/C16H19NO3/c1-4-10-20-14-9-8-13(12(5-2)15(14)19-3)16(18)17-11-6-7-11/h1,8-9,11H,5-7,10H2,2-3H3,(H,17,18)
InChIKeyRMLLRPVZFQNFAB-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.16
Rot. Bonds6

About N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide

N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide (PubChem CID 87698457) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide
PubChem CID87698457
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide
SMILESC#CCOc1ccc(C(=O)NC2CC2)c(CC)c1OC
InChIInChI=1S/C16H19NO3/c1-4-10-20-14-9-8-13(12(5-2)15(14)19-3)16(18)17-11-6-7-11/h1,8-9,11H,5-7,10H2,2-3H3,(H,17,18)
InChIKeyRMLLRPVZFQNFAB-UHFFFAOYSA-N
XLogP2.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2-ethyl-3,5-difluoro-4-prop-2-ynoxybenzamide
CID 87698213
N-cyclopentyl-3-fluoro-4-prop-2-ynoxybenzamide
CID 57445692
2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
CID 162701297
N-cyclopropyl-4-methoxynaphthalene-1-carboxamide
CID 27537333
N-cyclopropyl-4-methoxy-3-(prop-2-ynylamino)benzamide
CID 171531137
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
N-cyclopropyl-3-ethyl-4-methoxybenzamide
CID 110761892
2-[3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoylamino]-N-piperidin-4-ylbenzamide
CID 146373898
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
N-ethyl-3-(2-fluoro-3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 58655188
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide?
The IUPAC name of N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide (CID 87698457) is N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide.
What is the SMILES notation for N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide?
The canonical SMILES for N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide is C#CCOc1ccc(C(=O)NC2CC2)c(CC)c1OC.
What is the InChIKey of N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide?
The InChIKey is RMLLRPVZFQNFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-4-10-20-14-9-8-13(12(5-2)15(14)19-3)16(18)17-11-6-7-11/h1,8-9,11H,5-7,10H2,2-3H3,(H,17,18).
What are the key properties of N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide?
N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide has a molecular weight of 273.33 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-ethyl-3-methoxy-4-prop-2-ynoxybenzamide is sourced from PubChem (CID 87698457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).